SCHEMBL2009532

SCHEMBL2009532

Cc1nc(C#Cc2ccnc(Cl)c2)cn1C(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.49
KCNH2 Q12809 2/20 0.41
ADRB3 P13945 1/20 0.37
TSPO P30536 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GPR35 Q9HC97 1/20 0.37
FFAR1 O14842 1/20 0.36
MET P08581 2/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL2009926 0.88 GRM5 (0.63) GRM5FFAR1METBRD4MEN1
SCHEMBL5042307 0.86 GRM5 (0.46) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL5617327 0.79 GRM5 (0.53) GRM5FFAR1METBRD4
SCHEMBL2009047 0.78 GRM5 (0.52) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL5045983 0.76 GRM5 (0.49) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL5038553 0.76 GRM5 (0.44) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2174066 0.75 GRM5 (0.57) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL981728 0.73 GRM5 (0.62) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL5042934 0.73 GRM5 (0.48) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL5042345 0.73 GRM5 (0.61) GRM5KCNH2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831193-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 EP claimed
EP-1831193-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP claimed
WO-2005023795-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO claimed
US-20050054686-A1 Imidazole derivatives HOFFMANN-LA ROCHE INC. 2005-03-10 US claimed
US-7964620-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
EP-1831193-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-20090018171-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2009-01-15 US disclosed
US-7452909-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-18 US disclosed
EP-1831193-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2005023795-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054686-A1 Imidazole derivatives HOFFMANN-LA ROCHE INC. 2005-03-10 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 (2 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-20050054686-A1 Imidazole derivatives CHRM2, CHRM1, ARG1 GRM5 758/4885KCNH2 418/4885ADRB3 551/4885
US-20090018171-A1 IMIDAZOLE DERIVATIVES CHRM2, CHRM1, ARG1 GRM5 758/4885KCNH2 418/4885ADRB3 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.