SCHEMBL14607112

SCHEMBL14607112

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.46
▸ GSK3B P49841 5/20 0.46
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SGMS1 Q86VZ5 1/20 0.38
▸ CYP19A1 P11511 4/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 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 0.90 CDK2 (0.52) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13288973 0.87 CDK2 (0.48) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13288974 0.87 CDK2 (0.52) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13288977 0.86 CDK2 (0.47) CDK2GSK3BALDH1A1CYP19A1POLB
SCHEMBL14546000 0.85 CDK2 (0.53) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13288958 0.85 GSK3B (0.46) CDK2GSK3BALDH1A1RAB9A
SCHEMBL13289431 0.85 CDK2 (0.49) CDK2GSK3BCCNA2CCNA1CYP19A1
SCHEMBL14545999 0.84 CDK2 (0.54) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13289432 0.84 CDK2 (0.47) CDK2GSK3BCCNA2CCNA1CYP19A1
SCHEMBL13289440 0.84 CDK2 (0.51) CDK2GSK3BCCNA2CCNA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — 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-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885GSK3B 695/4885CCNA2 31/4885

“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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