SCHEMBL607925

SCHEMBL607925

Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1cnccn1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.64
KCNH2 Q12809 2/20 0.64
ADRB3 P13945 1/20 0.57
TSPO P30536 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
GPR35 Q9HC97 1/20 0.57
MAT2A P31153 2/20 0.34
FFAR1 O14842 1/20 0.34
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP19A1 P11511 1/20 0.30

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
SCHEMBL607412 0.84 GRM5 (0.64) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608765 0.81 GRM5 (0.64) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL609856 0.80 GRM5 (0.75) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607852 0.80 GRM5 (0.74) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607411 0.80 GRM5 (0.82) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607722 0.80 GRM5 (0.82) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL610472 0.79 GRM5 (0.76) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL981461 0.78 GRM5 (0.59) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608527 0.78 GRM5 (0.83) GRM5KCNH2ADRB3TSPOTMEM97
Basimglurant SCHEMBL29377966 0.78 GRM5 (1.00) 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 39 patents — showing the first 20. 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-2603203-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 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
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
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
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 (10 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-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.