SCHEMBL12953465

SCHEMBL12953465

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.55
▸ CCNA2 P20248 2/20 0.55
▸ CCNA1 P78396 2/20 0.55
▸ CDK9 P50750 5/20 0.52
▸ CDK5 Q00535 5/20 0.52
▸ CDK1 P06493 4/20 0.52
▸ GSK3B P49841 12/20 0.48
▸ CDK7 P50613 4/20 0.48
▸ CCNE1 P24864 4/20 0.48
▸ GSK3A P49840 2/20 0.48
▸ TAOK1 Q7L7X3 2/20 0.48
▸ CCNH P51946 2/20 0.48
▸ MNAT1 P51948 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CCNT2 O60583 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ CCNK O75909 1/20 0.48
▸ CCNB2 O95067 1/20 0.48
▸ CCNE2 O96020 1/20 0.48
▸ CDK4 P11802 1/20 0.48

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
SCHEMBL14276459 1.00 CDK2 (0.55) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL11930872 0.98 CDK2 (0.55) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL12953874 0.98 CDK2 (0.55) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL14545790 0.90 CDK2 (0.55) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL13116922 0.90 CDK2 (0.57) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL12953704 0.89 CDK2 (0.55) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL14043213 0.89 GSK3B (0.48) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL15579645 0.89 GSK3B (0.47) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL15579646 0.89 GSK3B (0.47) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL11930878 0.89 CDK2 (0.53) CDK2CCNA2CCNA1CDK9CDK5

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 10 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
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 1/4885CCNA2 29/4885CCNA1 22/4885
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885CCNA2 31/4885CCNA1 22/4885
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885CCNA2 31/4885CCNA1 22/4885

“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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