SCHEMBL4039385

SCHEMBL4039385

COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5)cc34)nc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.44
KDR P35968 7/20 0.44
CDK1 P06493 6/20 0.44
PGK1 P00558 1/20 0.44
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
ATR Q13535 1/20 0.43
PRMT5 O14744 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
ETV6 P41212 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
SCHEMBL4035645 0.86 CDK1 (0.49) RETKDRCDK1
SCHEMBL4036108 0.85 RET (0.56) RETKDRCDK1ATRCLK2
SCHEMBL4036187 0.77 CDK1 (0.55) RETKDRCDK1
SCHEMBL4040869 0.77 CDK1 (0.55) RETKDRCDK1
SCHEMBL5823298 0.76 KDR (0.58) RETKDRCDK1DYRK1A
SCHEMBL4034433 0.76 CDK1 (0.73) RETKDRCDK1CLK2CLK3
SCHEMBL4035751 0.75 KDR (0.72) RETKDRCDK1
SCHEMBL4039269 0.75 CDK1 (0.72) RETKDRCDK1CLK2CLK3
SCHEMBL4038677 0.75 CDK1 (0.62) RETKDRCDK1CLK2CLK3
SCHEMBL4035572 0.75 CDK1 (0.64) RETKDRCDK1CLK2CLK3

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 222/4885KDR 641/4885CDK1 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.