SCHEMBL3934547

SCHEMBL3934547

CCN(CC)C(=O)Nc1cn(C2CCCCO2)nc1-c1nc2cc(OCCCCN3CCCCC3)c(F)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.46
SYK P43405 1/20 0.46
EPHX2 P34913 1/20 0.34
CHEK2 O96017 2/20 0.33
AXL P30530 2/20 0.32
ABL1 P00519 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
EHMT2 Q96KQ7 2/20 0.32
MET P08581 2/20 0.31
GCK P35557 1/20 0.31
FLT1 P17948 2/20 0.31
STK10 O94804 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
TIE1 P35590 1/20 0.31
FLT4 P35916 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
SCHEMBL3923229 0.96 SYK (0.42) ITKSYKEPHX2CHEK2AXL
SCHEMBL3923162 0.94 SYK (0.43) ITKSYKEPHX2CHEK2AXL
SCHEMBL3929267 0.90 EPHX2 (0.35) ITKSYKEPHX2CHEK2AXL
SCHEMBL3928248 0.88 SYK (0.44) ITKSYKCHEK2AXLABL1
SCHEMBL13374027 0.87 SYK (0.53) ITKSYKABL1KDM4EALDH1A1
SCHEMBL3935957 0.84 CHEK2 (0.40) EPHX2CHEK2AXLKDM4EALDH1A1
SCHEMBL4129940 0.83 SYK (0.39) ITKSYKCHEK2AXLABL1
SCHEMBL3934575 0.83 SPIN1 (0.35) CHEK2KDM4EALDH1A1EHMT2FLT1
SCHEMBL18833146 0.82 SYK (0.38) ITKSYKCHEK2AXLABL1
SCHEMBL4133840 0.82 SYK (0.53) ITKSYKCHEK2KDM4EALDH1A1

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 ITK 1817/4885SYK 392/4885EPHX2 3420/4885

“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.