SCHEMBL3922503

SCHEMBL3922503

Nc1cn(C2CCCCO2)nc1-c1nc2cc(F)c(OCCN3CCCCC3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 3/20 0.36
ACHE P22303 8/20 0.36
CHEK2 O96017 2/20 0.35
FGFR1 P11362 2/20 0.32
FLT1 P17948 1/20 0.32
AXL P30530 2/20 0.32
INSR P06213 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
HTR2C P28335 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
SPIN1 Q9Y657 1/20 0.31

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
SCHEMBL3925039 0.96 FGFR1 (0.36) RUNX1ACHECHEK2FGFR1FLT1
SCHEMBL3934575 0.93 SPIN1 (0.35) RUNX1ACHECHEK2FGFR1FLT1
SCHEMBL3922498 0.89 CHEK2 (0.41) RUNX1ACHECHEK2AXLINSR
SCHEMBL3925832 0.87 ALDH1A1 (0.34) RUNX1ACHECHEK2HTR2C
SCHEMBL5951727 0.87 EGLN1 (0.34) F2F10PLGPLAUPLAT
SCHEMBL3926435 0.86 CHEK2 (0.32) CHEK2F2F10PLGPLAU
SCHEMBL3931979 0.84 ALDH1A1 (0.35) CHEK2FGFR1FLT1AXLKDR
SCHEMBL3923162 0.83 SYK (0.43) RUNX1ACHECHEK2AXLINSR
SCHEMBL3935957 0.82 CHEK2 (0.40) CHEK2FGFR1FLT1AXLF2
SCHEMBL3925803 0.81 ALDH1A1 (0.34) CHEK2FGFR1FLT1AXLPDGFRB

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 11 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
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-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US 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
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 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
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 RUNX1 3026/4885ACHE 2012/4885CHEK2 13/4885

“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.