SCHEMBL900261

SCHEMBL900261

Fc1ccc(-n2cnc3c(Br)cccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.46
FGFR1 P11362 2/20 0.41
SRC P12931 1/20 0.41
GRM1 Q13255 1/20 0.40
PTGS2 P35354 1/20 0.40
HTT P42858 2/20 0.40
HCAR1 Q9BXC0 1/20 0.39
CYP17A1 P05093 1/20 0.38

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
SCHEMBL7605205 0.86 EGLN1 (0.46) GRM2FGFR1SRCHTTCYP17A1
SCHEMBL29636285 0.80 HTT (0.61) FGFR1SRCGRM1HTTHCAR1
SCHEMBL19781129 0.80 HTT (0.61) FGFR1SRCGRM1HTTHCAR1
SCHEMBL901131 0.78 CYP17A1 (0.56) GRM2CYP17A1
SCHEMBL29477079 0.74 FGFR1 (0.63) FGFR1SRC
SCHEMBL29829541 0.74 EGLN1 (0.49) FGFR1SRCGRM1
SCHEMBL28824907 0.74 HTT (0.72) FGFR1HTT
SCHEMBL715061 0.72 FGFR1 (0.50) FGFR1SRCHTTCYP17A1
SCHEMBL30955929 0.72 FGFR1 (0.43) GRM2FGFR1SRCHTT
SCHEMBL29260667 0.72 FGFR1 (0.43) GRM2FGFR1SRCHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133160-B2 Substituted benzimidazole and imidazopyridine compounds useful as CYP17 modulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
US-9133160-B2 Substituted benzimidazole and imidazopyridine compounds useful as CYP17 modulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
US-9133160-B2 Substituted benzimidazole and imidazopyridine compounds useful as CYP17 modulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
EP-2621913-B1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
EP-2621913-B1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
US-20130310393-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-21 US disclosed
US-20130310393-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-21 US disclosed
EP-2621913-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
WO-2012044537-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012044537-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 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 (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-20130310393-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS CYP3A43, CYP2C18, CYP3A7 GRM2 3854/4885FGFR1 1132/4885SRC 1005/4885

“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.