SCHEMBL4043674

SCHEMBL4043674

CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5ccc(F)cc5[nH]4)c3c2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.73
CDK1 P06493 5/20 0.73
ERBB2 P04626 4/20 0.73
KDR P35968 3/20 0.73
CCNB1 P14635 1/20 0.56
CLK2 P49760 5/20 0.52
CLK3 P49761 5/20 0.52
DYRK1A Q13627 5/20 0.52
WNT1 P04628 4/20 0.49
MAP3K8 P41279 3/20 0.49
TGFBR1 P36897 1/20 0.48

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
Diethylamine SCHEMBL5819267 0.99 RET (0.72) RETCDK1ERBB2KDRCCNB1
SCHEMBL13797846 0.93 CDK1 (0.63) RETCDK1ERBB2KDRCCNB1
SCHEMBL4039623 0.90 RET (0.73) RETCDK1ERBB2KDRCLK2
Diethylamine SCHEMBL5823126 0.89 RET (0.72) RETCDK1ERBB2KDRCLK2
SCHEMBL12370787 0.89 RET (0.58) RETCDK1ERBB2KDRCLK2
SCHEMBL12369814 0.88 MAP3K8 (0.59) RETCDK1ERBB2KDRCLK2
SCHEMBL5819272 0.86 RET (0.55) RETCDK1ERBB2KDRCCNB1
SCHEMBL15370458 0.85 CLK2 (0.56) RETCDK1ERBB2KDRCCNB1
SCHEMBL17568864 0.85 CLK2 (0.66) RETCDK1ERBB2KDRCCNB1
SCHEMBL15370912 0.84 CLK2 (0.67) RETCDK1ERBB2KDRCLK2

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
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
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 222/4885CDK1 307/4885ERBB2 104/4885

“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.