SCHEMBL2653980

SCHEMBL2653980

Nc1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.45
MET P08581 4/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PTGS2 P35354 1/20 0.36
MAOA P21397 1/20 0.36
PLK1 P53350 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2653906 0.89 MET (0.48) FGFR1METNPC1RAB9ASMN1; SMN2
SCHEMBL2655538 0.86 MEN1 (0.46) FGFR1METNPC1RAB9AHPGD
SCHEMBL2656388 0.83 FGFR1 (0.40) FGFR1METNPC1RAB9ASMN1; SMN2
SCHEMBL2655287 0.83 GRIN1 (0.40) FGFR1METNPC1RAB9ASMN1; SMN2
SCHEMBL2654916 0.83 GABRA1 (0.49) FGFR1METNPC1RAB9ASMN1; SMN2
SCHEMBL2653865 0.83 FGFR1 (0.41) FGFR1METNPC1RAB9ASMN1; SMN2
SCHEMBL2655415 0.83 MET (0.45) FGFR1METPTGS2PLK1GABRA1
SCHEMBL2654129 0.81 CYP19A1 (0.44) FGFR1METRAB9ASMN1; SMN2HPGD
SCHEMBL2654891 0.81 PTPN5 (0.41) FGFR1METPLK1GABRA1GABRG2
SCHEMBL2654005 0.81 FGFR1 (0.50) FGFR1METNPC1RAB9APLK1

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 2259/4885MET 2664/4885NPC1 726/4885

“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.