SCHEMBL2654894

SCHEMBL2654894

N#Cc1ccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.44
HTT P42858 1/20 0.39
MET P08581 1/20 0.38
SRC P12931 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
KDR P35968 1/20 0.37
ACVR1 Q04771 1/20 0.37
GAK O14976 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MCL1 Q07820 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2654102 0.91 FGFR1 (0.47) FGFR1METSRC
SCHEMBL2654084 0.90 CYP19A1 (0.43) FGFR1HTTMETSRCCYP19A1
SCHEMBL2654098 0.89 FGFR1 (0.42) FGFR1HTTMETSRCPTGDR2
SCHEMBL2654014 0.88 KDR (0.54) FGFR1HTTSRCMAPK1KDR
SCHEMBL2657491 0.87 FGFR1 (0.45) FGFR1KDM4EMAPK1ALDH1A1MAPT
SCHEMBL2655939 0.86 ALDH1A1 (0.51) FGFR1HTTKDRALDH1A1MAPT
SCHEMBL2656607 0.85 FGFR1 (0.46) FGFR1HTTMETKDM4EMAPK1
SCHEMBL2654636 0.84 FGFR1 (0.41) FGFR1METSRCKDR
SCHEMBL2654095 0.84 FGFR1 (0.44) FGFR1HTTMETKDM4EMAPK1
SCHEMBL2656918 0.84 FGFR1 (0.42) FGFR1METSRCPTGDR2CYP19A1

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 9 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
JP-2007509108-A 2007-04-12 JP 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
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 claimed
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 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 FGFR1 2259/4885HTT 2363/4885MET 2664/4885

“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.