SCHEMBL607507

SCHEMBL607507

Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.61
KCNH2 Q12809 2/20 0.61
ADRB3 P13945 1/20 0.60
TSPO P30536 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
GPR35 Q9HC97 1/20 0.60
TGFBR1 P36897 1/20 0.36
PHGDH O43175 2/20 0.33
MAP2K2 P36507 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CYP17A1 P05093 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL608765 0.86 GRM5 (0.64) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607805 0.81 GRM5 (0.67) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608971 0.81 GRM5 (0.61) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607850 0.80 GRM5 (0.78) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2174868 0.79 GRM5 (0.49) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608787 0.78 GRM5 (0.81) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL610471 0.78 GRM5 (0.70) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608301 0.77 GRM5 (0.70) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL609930 0.77 GRM5 (0.67) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL609640 0.77 GRM5 (0.70) GRM5KCNH2ADRB3TSPOTMEM97

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220241260-A9 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2022-08-04 US claimed
US-20210052567-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2021-02-25 US claimed
US-20190216789-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2019-07-18 US claimed
US-20170202819-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F. HOFFMANN-LA ROCHE AG 2017-07-20 US claimed
US-20150140087-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN-LA ROCHE INC. 2015-05-21 US claimed
EP-2808022-A1 Pharmaceutical compositions of metabotropic glutamate 5 receptor (MGLU5) antagonists F. Hoffmann-La Roche AG (CH) 2014-12-03 EP claimed
EP-2603206-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP claimed
EP-2603203-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP claimed
US-8293916-B2 Diazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US claimed
WO-2012019989-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO claimed
WO-2012019990-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO claimed
US-20120040008-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS CHATTERJI ASHISH (US) 2012-02-16 US claimed
US-20120039999-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS CHATTERJI ASHISH (US) 2012-02-16 US claimed
CN-1960984-B Pyridin-4-yl-ethynyl-imidazoles and pyrazoles as MGLU5 receptor antagonists HOFFMANN LA ROCHE 2010-05-12 CN claimed
US-20100048569-A1 DIAZOLE DERIVATIVES BUETTELMANN BERND 2010-02-25 US claimed
US-20090054490-A1 METHODS FOR THE TREATMENT OF GERD WITH MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 US claimed
EP-1756086-B1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-06-04 EP claimed
CN-1960984-A Pyridin-4-yl-ethynyl-imidazoles and pyrazoles as MGLU5 receptor antagonists HOFFMANN LA ROCHE (CH) 2007-05-09 CN claimed
US-20060030559-A1 Diazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US claimed
US-20250073216-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2025-03-06 US disclosed
US-20220241260-A9 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2022-08-04 US disclosed
US-20210052567-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2021-02-25 US disclosed
US-20190216789-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2019-07-18 US disclosed
US-20170202819-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F. HOFFMANN-LA ROCHE AG 2017-07-20 US disclosed
US-20150140087-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN-LA ROCHE INC. 2015-05-21 US disclosed
EP-2808022-A1 Pharmaceutical compositions of metabotropic glutamate 5 receptor (MGLU5) antagonists F. Hoffmann-La Roche AG (CH) 2014-12-03 EP disclosed
EP-2603206-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
EP-2603203-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
US-8293916-B2 Diazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
WO-2012019989-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
WO-2012019990-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040008-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS CHATTERJI ASHISH (US) 2012-02-16 US disclosed
US-20120039999-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS CHATTERJI ASHISH (US) 2012-02-16 US disclosed
CN-1960984-B Pyridin-4-yl-ethynyl-imidazoles and pyrazoles as MGLU5 receptor antagonists HOFFMANN LA ROCHE 2010-05-12 CN disclosed
US-20100048569-A1 DIAZOLE DERIVATIVES BUETTELMANN BERND 2010-02-25 US disclosed
US-20090054490-A1 METHODS FOR THE TREATMENT OF GERD WITH MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 US disclosed
WO-2009024491-A1 USE OF MGLUR5 ANTAGONISTS FOR THE TREATMENT OF GERD F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO disclosed
EP-1756086-B1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
CN-1960984-A Pyridin-4-yl-ethynyl-imidazoles and pyrazoles as MGLU5 receptor antagonists HOFFMANN LA ROCHE (CH) 2007-05-09 CN disclosed
EP-1756086-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060030559-A1 Diazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048569-A1 DIAZOLE DERIVATIVES GRM1, GRM2, GRIN2B GRM5 14/4885KCNH2 551/4885ADRB3 1151/4885
US-20060030559-A1 Diazole derivatives GRM1, GRM2, GRIN2B GRM5 14/4885KCNH2 551/4885ADRB3 1151/4885
US-20120040008-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885
US-20190216789-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1493/4885ADRB3 3062/4885
US-20170202819-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885
US-20090054490-A1 METHODS FOR THE TREATMENT OF GERD WITH MGLUR5 ANTAGONISTS GRM5, HRH2, GRPR GRM5 1/4885KCNH2 1043/4885ADRB3 533/4885
US-20120039999-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885
US-20250073216-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1554/4885ADRB3 2864/4885
US-20220241260-A9 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885
US-20150140087-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885
US-20210052567-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.