SCHEMBL2654014

SCHEMBL2654014

COc1ccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.54
FGFR1 P11362 6/20 0.50
HTT P42858 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPK10 P53779 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
SRC P12931 3/20 0.44
GFER P55789 1/20 0.44
GAK O14976 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PTPN11 Q06124 1/20 0.42
CDK1 P06493 1/20 0.42
GSK3B P49841 1/20 0.42
PRKCQ Q04759 1/20 0.42
MAP3K1 Q13233 1/20 0.42
F10 P00742 2/20 0.42

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
SCHEMBL2656906 0.89 FGFR1 (0.51) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL2654894 0.88 FGFR1 (0.44) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL2662035 0.86 NPC1 (0.45) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL2654102 0.85 FGFR1 (0.47) FGFR1SRCMEN1KMT2A
SCHEMBL2654084 0.83 CYP19A1 (0.43) FGFR1HTTALDH1A1HPGDMAPK1
SCHEMBL2654098 0.83 FGFR1 (0.42) KDRFGFR1HTTSRCCDK1
SCHEMBL2657491 0.81 FGFR1 (0.45) FGFR1ALDH1A1HPGDMAPK1MAPT
SCHEMBL2654636 0.81 FGFR1 (0.41) KDRFGFR1SRC
SCHEMBL2655939 0.80 ALDH1A1 (0.51) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL2654215 0.80 FGFR1 (0.61) KDRFGFR1SRCNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US claimed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US claimed
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 KDR 1799/4885FGFR1 2259/4885HTT 2363/4885

“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.