SCHEMBL5042307

SCHEMBL5042307

Cc1nc(C#Cc2ccnc(Cl)c2)cn1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.46
KCNH2 Q12809 2/20 0.46
ADRB3 P13945 1/20 0.41
TSPO P30536 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GPR35 Q9HC97 1/20 0.41
FFAR1 O14842 1/20 0.37

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
SCHEMBL5042345 0.86 GRM5 (0.61) GRM5KCNH2FFAR1
SCHEMBL2009532 0.86 GRM5 (0.49) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL5045983 0.82 GRM5 (0.49) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL5038553 0.82 GRM5 (0.44) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL981728 0.79 GRM5 (0.62) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL5042934 0.79 GRM5 (0.48) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2174066 0.78 GRM5 (0.57) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2175568 0.77 GRM5 (0.63) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2174588 0.77 GRM5 (0.63) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL5043887 0.76 GRM5 (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644351-B1 Imidazole derivatives and their use in the treatment of mGluR5 receptor mediated disorders HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
US-7091222-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1644351-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005003117-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-20050009878-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-01-13 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 (1 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-20050009878-A1 Imidazole derivatives GRIK5, GRM5, GRIK4 GRM5 2/4885KCNH2 78/4885ADRB3 998/4885

“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.