SCHEMBL13288973

SCHEMBL13288973

Bc1cnn2c(NCc3cccc(CNS(=O)(=O)c4ccc(C(C)C)cc4)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.48
▸ GSK3B P49841 6/20 0.48
▸ CYP19A1 P11511 3/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL12954278 0.92 CDK2 (0.52) CDK2GSK3BCYP19A1CCNA2CCNA1
SCHEMBL13120636 0.91 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1
SCHEMBL13289431 0.88 CDK2 (0.49) CDK2GSK3BCYP19A1CCNA2CCNA1
SCHEMBL13289384 0.88 GSK3B (0.47) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13289052 0.87 CDK2 (0.53) CDK2GSK3BCYP19A1CCNA2CCNA1
SCHEMBL13289053 0.87 CDK2 (0.53) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13288958 0.87 GSK3B (0.46) CDK2GSK3BALDH1A1
SCHEMBL14607112 0.87 CDK2 (0.46) CDK2GSK3BCYP19A1CCNA2CCNA1
SCHEMBL13288974 0.87 CDK2 (0.52) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13289375 0.87 CDK2 (0.54) CDK2GSK3BCCNA2CCNA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US 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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885GSK3B 695/4885CYP19A1 1071/4885

“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.

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