SCHEMBL4033898

SCHEMBL4033898

COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5ccc(S(N)(=O)=O)cc5)cc34)nc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
CDK1 P06493 9/20 0.51
RET P07949 7/20 0.50
PRKCZ Q05513 1/20 0.49
ERBB2 P04626 1/20 0.46
ATR Q13535 1/20 0.40
PDPK1 O15530 1/20 0.39
TTK P33981 2/20 0.38
MAPK8 P45983 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL4042227 0.90 KDR (0.45) KDRCDK1RETPRKCZERBB2
SCHEMBL5823298 0.86 KDR (0.58) KDRCDK1RETPRKCZERBB2
SCHEMBL4035751 0.85 KDR (0.72) KDRCDK1RETERBB2
SCHEMBL4036187 0.84 CDK1 (0.55) KDRCDK1RETPRKCZERBB2
SCHEMBL4040869 0.84 CDK1 (0.55) KDRCDK1RETERBB2
SCHEMBL4039269 0.83 CDK1 (0.72) KDRCDK1RETERBB2DYRK1A
SCHEMBL4033831 0.83 CDK1 (0.58) KDRCDK1RETERBB2DYRK1A
SCHEMBL4034433 0.82 CDK1 (0.73) KDRCDK1RETERBB2DYRK1A
SCHEMBL4037124 0.82 CDK1 (0.73) KDRCDK1RETERBB2DYRK1A
SCHEMBL4036104 0.82 RET (0.73) KDRCDK1RETERBB2DYRK1A

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 KDR 641/4885CDK1 307/4885RET 222/4885

“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.