SCHEMBL4130211

SCHEMBL4130211

CCN(CC)C(=O)Nc1cn(C2CCCCO2)nc1-c1nc2cc(F)c(N3CCN(C)CC3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
ITK Q08881 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
SRPK1 Q96SB4 1/20 0.33
OPRL1 P41146 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATR Q13535 1/20 0.31
PDE7A Q13946 2/20 0.31
RET P07949 1/20 0.30
ROS1 P08922 1/20 0.30
FLT3 P36888 1/20 0.30
EML4 Q9HC35 1/20 0.30
ALK Q9UM73 1/20 0.30
NPY2R P49146 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
SCHEMBL3933668 0.98 SYK (0.36) SYKITKKDM4EALDH1A1ABL1
SCHEMBL3933717 0.94 ITK (0.38) SYKITKABL1FGFR1FGFR2
SCHEMBL3928295 0.92 ITK (0.37) SYKITKALDH1A1ABL1FGFR1
SCHEMBL4124975 0.91 SRPK1 (0.36) ITKKDM4EALDH1A1ABL1FGFR1
SCHEMBL4135329 0.89 SRPK1 (0.35) ITKKDM4EALDH1A1ABL1FGFR1
SCHEMBL3930653 0.87 ABL1 (0.36) KDM4EALDH1A1ABL1FGFR1FGFR2
SCHEMBL3922695 0.87 BRD4 (0.42) ALDH1A1FGFR1FLT3
SCHEMBL13375199 0.86 SYK (0.39) SYKITKABL1
SCHEMBL3926400 0.85 PDE7A (0.36) KDM4EALDH1A1ABL1FGFR1FGFR2
SCHEMBL13374027 0.85 SYK (0.53) SYKITKKDM4EALDH1A1ABL1

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 SYK 392/4885ITK 1817/4885KDM4E 1847/4885

“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.