SCHEMBL2175473

SCHEMBL2175473

Cc1nc(C#Cc2ccnc(Cl)c2)cn1-c1ccnc(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.48
KCNH2 Q12809 2/20 0.42
ADRB3 P13945 1/20 0.42
TSPO P30536 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GPR35 Q9HC97 1/20 0.42
FFAR1 O14842 1/20 0.32
MAP3K14 Q99558 1/20 0.31

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
SCHEMBL4630195 0.89 GRM5 (0.61) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2174868 0.85 GRM5 (0.49) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2175315 0.83 GRM5 (0.52) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL980694 0.81 GRM5 (0.54) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2175567 0.81 GRM5 (0.56) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2174518 0.80 GRM5 (0.48) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL981004 0.79 GRM5 (0.51) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL981728 0.79 GRM5 (0.62) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2173450 0.79 GRM5 (0.50) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2174185 0.79 GRM5 (0.50) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100408572-C imidazole derivatives as glutamate receptor antagonists HOFFMANN LA ROCHE (CH) 2008-08-06 CN claimed
EP-1636206-B1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-10-31 EP claimed
CN-1802367-A Imidazole derivatives as glutmate receptor antagonists HOFFMANN LA ROCHE (CH) 2006-07-12 CN 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
CN-100408572-C imidazole derivatives as glutamate receptor antagonists HOFFMANN LA ROCHE (CH) 2008-08-06 CN 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
CN-1802367-A Imidazole derivatives as glutmate receptor antagonists HOFFMANN LA ROCHE (CH) 2006-07-12 CN disclosed
US-20050143375-A1 Imidazole derivatives ROCHE PALO ALTO LLC 2005-06-30 US 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 140/4885ADRB3 806/4885
US-20080103306-A1 IMIDAZOLE DERIVATIVES GRIK5, GRM5, GRIN2B GRM5 2/4885KCNH2 132/4885ADRB3 1082/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B GRM5 2/4885KCNH2 115/4885ADRB3 991/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 GRM5 1/4885KCNH2 1004/4885ADRB3 551/4885

“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.