SCHEMBL12953704

SCHEMBL12953704

[O-][n+]1cccc(CNc2cc(N[C@H]3CCCC[C@H]3CO)nc3c(C4CC4)cnn23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.55
▸ CDK9 P50750 8/20 0.55
▸ CDK5 Q00535 8/20 0.55
▸ CDK1 P06493 8/20 0.55
▸ CDK7 P50613 10/20 0.50
▸ CCNE1 P24864 7/20 0.50
▸ GSK3B P49841 7/20 0.50
▸ CCNH P51946 6/20 0.50
▸ MNAT1 P51948 5/20 0.50
▸ CDK4 P11802 4/20 0.50
▸ CDK6 Q00534 4/20 0.50
▸ CDK8 P49336 3/20 0.50
▸ GSK3A P49840 2/20 0.50
▸ TAOK1 Q7L7X3 2/20 0.50
▸ CCNA2 P20248 2/20 0.50
▸ CCNA1 P78396 2/20 0.50
▸ CCNT1 O60563 2/20 0.50
▸ CCNB1 P14635 2/20 0.50
▸ CCND1 P24385 2/20 0.50
▸ CCNT2 O60583 1/20 0.50

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
SCHEMBL11930872 0.91 CDK2 (0.55) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12953874 0.91 CDK2 (0.55) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12953698 0.90 CDK2 (0.69) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12953465 0.89 CDK2 (0.55) CDK2CDK9CDK5CDK1CDK7
SCHEMBL14276459 0.89 CDK2 (0.55) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12952987 0.89 CDK2 (0.46) CDK2CDK9CDK5CDK1CDK7
SCHEMBL14194658 0.85 CDK2 (0.46) CDK2CDK9CDK5CDK1CDK7
SCHEMBL14545790 0.83 CDK2 (0.55) CDK2CDK9CDK5CDK1CDK7
SCHEMBL14043213 0.82 GSK3B (0.48) CDK2CDK9CDK5CDK1CDK7
SCHEMBL15579645 0.82 GSK3B (0.47) CDK2CDK9CDK5CDK1CDK7

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-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-20070054925-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 (3 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 CDK2 1/4885CDK9 9/4885CDK5 6/4885
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885CDK9 9/4885CDK5 5/4885
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885CDK9 9/4885CDK5 5/4885

“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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