SCHEMBL12954177

SCHEMBL12954177

COBNCc1ccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.73
▸ GSK3B P49841 10/20 0.69
▸ CCNE1 P24864 3/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CCNA1 P78396 1/20 0.49

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
SCHEMBL12953627 0.95 GSK3B (0.70) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12954192 0.91 CDK2 (0.70) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13122668 0.88 CDK2 (0.77) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12954189 0.88 GSK3B (0.64) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13305586 0.87 CDK2 (0.81) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12953622 0.86 GSK3B (0.65) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12953533 0.86 GSK3B (0.65) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12953540 0.86 CDK2 (0.68) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12953601 0.85 CDK2 (0.81) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12953026 0.85 CDK2 (0.81) CDK2GSK3BCCNE1CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
WO-2008130570-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO 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 695/4885CCNE1 37/4885

“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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