SCHEMBL3933717

SCHEMBL3933717

CCN(CC)C(=O)Nc1cn(C2CCCCO2)nc1-c1nc2cc(F)c(N3CCOCC3)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 6/20 0.38
SYK P43405 1/20 0.38
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
ABL1 P00519 1/20 0.34
PDPK1 O15530 4/20 0.33
FLT3 P36888 2/20 0.33
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
IL2 P60568 1/20 0.32
AURKA O14965 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK2 P24941 1/20 0.31
AURKB Q96GD4 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
SCHEMBL3928295 0.98 ITK (0.37) ITKSYKFGFR1FGFR2FGFR3
SCHEMBL4130211 0.94 SYK (0.37) ITKSYKFGFR1FGFR2FGFR3
SCHEMBL3933668 0.92 SYK (0.36) ITKSYKFGFR1FGFR2FGFR3
SCHEMBL3935076 0.91 ITK (0.37) ITKFGFR1FGFR2FGFR3KDR
SCHEMBL4136031 0.89 ITK (0.36) ITKFGFR1FGFR2FGFR3KDR
SCHEMBL13375199 0.86 SYK (0.39) ITKSYKABL1
SCHEMBL13374027 0.86 SYK (0.53) ITKSYKABL1
SCHEMBL4124975 0.84 SRPK1 (0.36) ITKFGFR1FGFR2FGFR3KDR
SCHEMBL3924807 0.84 ATR (0.34) ITKFGFR1FGFR2FGFR3KDR
SCHEMBL4010740 0.84 SYK (0.37) ITKSYKABL1

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 392/4885FGFR1 2171/4885

“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.