SCHEMBL3930935

SCHEMBL3930935

NC(=O)n1c[c]c(-c2nc3cc(F)c(N4CCOCC4)cc3[nH]2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CHEK2 O96017 3/20 0.37
BRD4 O60885 1/20 0.35
NPC1 O15118 2/20 0.34
OPRL1 P41146 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5952660 0.79 CHEK2 (0.37) ALDH1A1CHEK2NPC1HPGDKDM4E
SCHEMBL3582641 0.77 PARP1 (0.42) FGFR1PARP1ALDH1A1BRD4NPC1
SCHEMBL5547011 0.77 ATR (0.44) FGFR1FGFR2FGFR3KDRHPGD
SCHEMBL546668 0.76 PARP1 (0.45) FGFR1FGFR2FGFR3KDRPARP1
SCHEMBL5952191 0.74 HPSE (0.43) FGFR1KDRCHEK2NPC1EGLN1
SCHEMBL5953327 0.74 SYK (0.43) ALDH1A1CHEK2NPC1EGLN1HPGD
SCHEMBL5952050 0.74 CHEK2 (0.38) CHEK2
SCHEMBL3578314 0.72 AMY1A (0.42) PARP1CHEK2EGLN1
SCHEMBL5953399 0.71 PTGDR2 (0.43) CHEK2
SCHEMBL5951702 0.70 CHEK2 (0.39) PARP1CHEK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 US disclosed
EP-2041119-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2009-04-01 EP disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 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-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF RB1, CCNI, CDK2 FGFR1 2171/4885FGFR2 1805/4885FGFR3 1339/4885

“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.