SCHEMBL2173276

SCHEMBL2173276

Cc1nc(C#Cc2ccnc(F)c2)cn1-c1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.82
KCNH2 Q12809 2/20 0.46
FFAR1 O14842 1/20 0.36
ADRB3 P13945 1/20 0.33
TSPO P30536 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GPR35 Q9HC97 1/20 0.33
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 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
SCHEMBL4630148 0.90 GRM5 (1.00) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL29378035 0.88 GRM5 (0.78) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2172336 0.88 GRM5 (0.78) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2173658 0.87 GRM5 (0.77) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL4630257 0.80 GRM5 (0.82) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4630909 0.80 GRM5 (0.81) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4630585 0.78 GRM5 (0.78) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2175507 0.78 GRM5 (0.64) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4630732 0.78 GRM5 (0.78) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2175568 0.78 GRM5 (0.63) GRM5KCNH2FFAR1ADRB3TSPO

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531529-B2 Imidazole derivatives ROCHE PALO ALTO LLC (US) 2009-05-12 US claimed
US-20080119489-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2008-05-22 US claimed
US-7332510-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US claimed
EP-1636206-B1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-10-31 EP claimed
EP-1636206-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP claimed
US-20050143375-A1 Imidazole derivatives ROCHE PALO ALTO LLC 2005-06-30 US claimed
WO-2004108701-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-16 WO claimed
US-20040248888-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 US claimed
US-8481548-B2 2-[4-(2-chloro-pyridin-4-ylethynyl)-2-methyl-imidazol-1-yl]-4-trifluoromethyl-pyrimidine; metabotropic glutamate (mGluR5) receptor antagonist; analgesic, neurodegenerative diseases; psychosis, epilepsy, schizophrenia, Alzheimer' disease, cognititve disorders, memory deficits, chronic and acute pain HOFFMAN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-7973165-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-05 US disclosed
US-7531529-B2 Imidazole derivatives ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20080119489-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2008-05-22 US disclosed
US-20080103306-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2008-05-01 US disclosed
US-7332510-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
EP-1636206-B1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-10-31 EP disclosed
EP-1636206-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
US-20050143375-A1 Imidazole derivatives ROCHE PALO ALTO LLC 2005-06-30 US disclosed
WO-2004108701-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-16 WO disclosed
US-20040248888-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 US 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 (4 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-20080119489-A1 IMIDAZOLE DERIVATIVES GRIK5, GRM5, GRIN2B GRM5 2/4885KCNH2 140/4885FFAR1 487/4885
US-20080103306-A1 IMIDAZOLE DERIVATIVES GRIK5, GRM5, GRIN2B GRM5 2/4885KCNH2 132/4885FFAR1 461/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B GRM5 2/4885KCNH2 115/4885FFAR1 440/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 GRM5 1/4885KCNH2 1004/4885FFAR1 581/4885

“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.