SCHEMBL4039682

SCHEMBL4039682

CNCc1cncc(-c2cnc3[nH]nc(-c4nc5ccc(C#N)cc5[nH]4)c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 13/20 0.55
MAP3K8 P41279 2/20 0.53
CDK1 P06493 6/20 0.52
ERBB2 P04626 5/20 0.52
KDR P35968 4/20 0.47
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
ATR Q13535 1/20 0.40
WNT1 P04628 1/20 0.40

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
Methylethylamine SCHEMBL5821868 0.97 MAP3K8 (0.55) RETMAP3K8CDK1ERBB2KDR
SCHEMBL13797847 0.93 RET (0.49) RETMAP3K8CDK1ERBB2KDR
SCHEMBL4033776 0.86 RET (0.74) RETCDK1ERBB2KDR
SCHEMBL13810493 0.82 RET (0.50) RETMAP3K8CDK1ERBB2KDR
SCHEMBL13797844 0.80 RET (0.64) RETMAP3K8CDK1ERBB2KDR
SCHEMBL4043674 0.79 RET (0.73) RETMAP3K8CDK1ERBB2KDR
SCHEMBL4035713 0.79 RET (0.75) RETMAP3K8CDK1ERBB2KDR
Diethylamine SCHEMBL5819267 0.79 RET (0.72) RETMAP3K8CDK1ERBB2KDR
SCHEMBL4034563 0.78 CDK1 (0.66) RETMAP3K8CDK1ERBB2KDR
SCHEMBL12370787 0.77 RET (0.58) RETMAP3K8CDK1ERBB2KDR

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 222/4885MAP3K8 19/4885CDK1 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.