SCHEMBL3935957

SCHEMBL3935957

NC(=O)c1cn(C2CCCCO2)nc1-c1nc2cc(OCCCCN3CCCCC3)c(F)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.40
PARP1 P09874 2/20 0.37
F2 P00734 3/20 0.36
PLG P00747 3/20 0.36
PLAU P00749 3/20 0.36
F10 P00742 2/20 0.36
PLAT P00750 2/20 0.36
DHODH Q02127 2/20 0.34
EPHX2 P34913 1/20 0.34
AXL P30530 2/20 0.33
FLT1 P17948 2/20 0.33
FGFR1 P11362 1/20 0.33
CSF1R P07333 4/20 0.32
RET P07949 2/20 0.32
STK10 O94804 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
TIE1 P35590 1/20 0.32
FLT4 P35916 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL3922498 0.94 CHEK2 (0.41) CHEK2PARP1F2PLGPLAU
SCHEMBL3934575 0.89 SPIN1 (0.35) CHEK2F2PLGPLAUF10
SCHEMBL3929267 0.86 EPHX2 (0.35) CHEK2F2PLGPLAUF10
SCHEMBL3925803 0.86 ALDH1A1 (0.34) CHEK2AXLFLT1FGFR1CSF1R
SCHEMBL4125202 0.85 CHEK2 (0.38) CHEK2F2PLGPLAUF10
SCHEMBL3925039 0.84 FGFR1 (0.36) CHEK2EPHX2FLT1FGFR1SPIN1
SCHEMBL5952513 0.84 EGLN1 (0.37) CHEK2PARP1F2PLGPLAU
SCHEMBL3934547 0.84 ITK (0.46) CHEK2EPHX2AXLFLT1FGFR1
SCHEMBL3922503 0.82 RUNX1 (0.36) CHEK2F2PLGPLAUF10
SCHEMBL3931979 0.81 ALDH1A1 (0.35) CHEK2EPHX2AXLFLT1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 EP disclosed
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 CHEK2 13/4885PARP1 120/4885F2 459/4885

“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.