SCHEMBL4035569

SCHEMBL4035569

NCCCc1cncc(-c2cnc3[nH]nc(-c4nc5cc(F)c(F)cc5[nH]4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.52
ERBB2 P04626 4/20 0.52
CDK1 P06493 4/20 0.52
KDR P35968 2/20 0.52
MAP3K8 P41279 2/20 0.44
FLT3 P36888 2/20 0.39
WNT1 P04628 2/20 0.38
CHEK1 O14757 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK2 P49760 3/20 0.36
CLK3 P49761 3/20 0.36
DYRK1A Q13627 3/20 0.36

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
SCHEMBL4039623 0.84 RET (0.73) RETERBB2CDK1KDRMAP3K8
Diethylamine SCHEMBL5823126 0.83 RET (0.72) RETERBB2CDK1KDRMAP3K8
SCHEMBL4039588 0.82 RET (0.48) RETERBB2CDK1KDRMAP3K8
SCHEMBL4039916 0.78 RET (0.54) RETERBB2CDK1KDRFLT3
SCHEMBL4042849 0.76 CDK1 (0.58) RETERBB2CDK1KDRWNT1
SCHEMBL13797846 0.74 CDK1 (0.63) RETERBB2CDK1KDRMAP3K8
SCHEMBL4043674 0.74 RET (0.73) RETERBB2CDK1KDRMAP3K8
Diethylamine SCHEMBL5819267 0.73 RET (0.72) RETERBB2CDK1KDRMAP3K8
SCHEMBL5819272 0.73 RET (0.55) RETERBB2CDK1KDRWNT1
SCHEMBL4035713 0.72 RET (0.75) RETERBB2CDK1KDRMAP3K8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US claimed
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 US claimed
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO claimed
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US disclosed
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 US disclosed
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 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-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders PRKDC, PRKACA, ABL1 RET 222/4885ERBB2 104/4885CDK1 307/4885

“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.