SCHEMBL4145845

SCHEMBL4145845

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.34
ABL1 P00519 1/20 0.33
ITK Q08881 2/20 0.32
SYK P43405 1/20 0.32
CHEK2 O96017 1/20 0.31
AXL P30530 1/20 0.31
ATM Q13315 2/20 0.31
EGFR P00533 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL4145423 0.93 BRAF (0.33) BRAFABL1ITKSYKAXL
SCHEMBL4129683 0.93 SYK (0.34) BRAFABL1ITKSYKCHEK2
SCHEMBL4129592 0.92 AURKA (0.35) BRAFABL1ITKSYKCHEK2
SCHEMBL4135732 0.92 ITK (0.35) BRAFABL1ITKSYKCHEK2
SCHEMBL4121832 0.92 ITK (0.36) BRAFABL1ITKSYKCHEK2
SCHEMBL4139415 0.91 FGFR1 (0.33) BRAFABL1ITKSYKCHEK2
SCHEMBL4128962 0.90 ITK (0.36) BRAFABL1ITKSYK
SCHEMBL4130187 0.89 SYK (0.35) BRAFABL1ITKSYKCHEK2
SCHEMBL18833146 0.89 SYK (0.38) BRAFABL1ITKSYKCHEK2
SCHEMBL3928248 0.89 SYK (0.44) BRAFABL1ITKSYKCHEK2

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 BRAF 56/4885ABL1 226/4885ITK 1817/4885

“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.