SCHEMBL4036108

SCHEMBL4036108

COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5ccc(N6CCOCC6)nc5)cc34)nc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.56
CDK1 P06493 9/20 0.49
KDR P35968 8/20 0.49
FGFR1 P11362 2/20 0.46
MAP4K1 Q92918 1/20 0.45
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
ERBB2 P04626 1/20 0.43
ATR Q13535 1/20 0.43
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL4035645 0.91 CDK1 (0.49) RETCDK1KDRMAP4K1ERBB2
SCHEMBL4033834 0.85 RET (0.77) RETCDK1KDRCLK2CLK3
SCHEMBL4039385 0.85 RET (0.44) RETCDK1KDRCLK2CLK3
SCHEMBL4040869 0.82 CDK1 (0.55) RETCDK1KDRFGFR1ERBB2
SCHEMBL4036187 0.82 CDK1 (0.55) RETCDK1KDRERBB2
SCHEMBL4035011 0.82 RET (0.64) RETCDK1KDRCLK2CLK3
SCHEMBL5823298 0.81 KDR (0.58) RETCDK1KDRFGFR1DYRK1A
SCHEMBL4034433 0.80 CDK1 (0.73) RETCDK1KDRCLK2CLK3
SCHEMBL4034333 0.80 RET (0.59) RETCDK1KDRERBB2
SCHEMBL4035751 0.80 KDR (0.72) RETCDK1KDRERBB2

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 7 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
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 307/4885KDR 641/4885

“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.