SCHEMBL2656906

SCHEMBL2656906

COc1cccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
GFER P55789 1/20 0.50
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPK10 P53779 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
SRC P12931 2/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
CDK1 P06493 1/20 0.45
ABL2 P42684 1/20 0.45
KDR P35968 1/20 0.44
GRM1 Q13255 1/20 0.41
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
PGGT1B P53609 2/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL2654014 0.89 KDR (0.54) FGFR1ALDH1A1HTTGFERHPGD
SCHEMBL2657491 0.86 FGFR1 (0.45) FGFR1ALDH1A1HPGDMAPK1ADORA2A
SCHEMBL2656607 0.84 FGFR1 (0.46) FGFR1ALDH1A1HTTHPGDMAPK1
SCHEMBL2654095 0.83 FGFR1 (0.44) FGFR1ALDH1A1HTTGFERHPGD
SCHEMBL2654061 0.83 FGFR1 (0.43) FGFR1ALDH1A1HPGDMAPK1SRC
SCHEMBL2662035 0.82 NPC1 (0.45) FGFR1ALDH1A1HTTHPGDEGFR
SCHEMBL2654894 0.81 FGFR1 (0.44) FGFR1ALDH1A1HTTHPGDMAPK1
SCHEMBL2656918 0.80 FGFR1 (0.42) FGFR1SRCABL1EGFRCDK1
SCHEMBL2654084 0.79 CYP19A1 (0.43) FGFR1ALDH1A1HTTHPGDMAPK1
SCHEMBL2656885 0.79 FGFR1 (0.42) FGFR1SRC

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 2259/4885ALDH1A1 541/4885HTT 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.