SCHEMBL4036025

SCHEMBL4036025

COCc1cccc2[nH]c(-c3n[nH]c4ncc(Br)cc34)nc12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.70
CDK1 P06493 10/20 0.52
KDR P35968 8/20 0.52
ERBB2 P04626 1/20 0.48
PDPK1 O15530 1/20 0.40
WNT1 P04628 3/20 0.39
TGFBR1 P36897 3/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
FGFR1 P11362 1/20 0.37

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
SCHEMBL4040028 0.88 RET (0.55) RETCDK1KDRERBB2PDPK1
SCHEMBL4034227 0.86 RET (0.51) RETCDK1KDRERBB2PDPK1
SCHEMBL4036104 0.85 RET (0.73) RETCDK1KDRERBB2WNT1
SCHEMBL4039789 0.85 RET (0.52) RETCDK1KDRERBB2PDPK1
SCHEMBL4039269 0.85 CDK1 (0.72) RETCDK1KDRERBB2WNT1
SCHEMBL4035751 0.85 KDR (0.72) RETCDK1KDRERBB2WNT1
SCHEMBL5823298 0.84 KDR (0.58) RETCDK1KDRERBB2WNT1
SCHEMBL4036187 0.83 CDK1 (0.55) RETCDK1KDRERBB2WNT1
SCHEMBL4037124 0.83 CDK1 (0.73) RETCDK1KDRERBB2CLK2
SCHEMBL4034433 0.83 CDK1 (0.73) RETCDK1KDRERBB2WNT1

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 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 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.