SCHEMBL4036313

SCHEMBL4036313

CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5c(COC)cccc5[nH]4)c3c2)c1C

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.78
KDR P35968 2/20 0.78
MAP3K8 P41279 16/20 0.59
CCNB1 P14635 2/20 0.56
CCNA2 P20248 2/20 0.56
CDK2 P24941 2/20 0.56
CDK4 P11802 1/20 0.53
CCNE1 P24864 1/20 0.53
ERBB2 P04626 1/20 0.53

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
SCHEMBL4034614 0.92 CDK1 (0.65) CDK1KDRMAP3K8CCNB1CCNA2
Methylamine SCHEMBL5822012 0.90 CDK1 (0.64) CDK1KDRMAP3K8CCNB1CCNA2
SCHEMBL4033703 0.90 CDK1 (0.63) CDK1KDRMAP3K8CCNB1CCNA2
SCHEMBL4037260 0.89 CDK1 (0.61) CDK1KDRMAP3K8ERBB2
SCHEMBL5822000 0.86 CDK1 (0.59) CDK1KDRMAP3K8ERBB2
SCHEMBL4036927 0.86 CDK1 (0.67) CDK1KDRERBB2
SCHEMBL12370754 0.86 MAP3K8 (0.79) CDK1KDRMAP3K8
SCHEMBL12370788 0.85 CDK1 (0.58) CDK1KDRMAP3K8CCNB1CCNA2
SCHEMBL12370762 0.85 CDK1 (0.57) CDK1KDRMAP3K8CCNB1CCNA2
SCHEMBL12370790 0.85 CDK1 (0.57) CDK1KDRMAP3K8CCNB1CCNA2

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 9 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-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US disclosed
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
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 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 CDK1 307/4885KDR 641/4885MAP3K8 19/4885

“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.