SCHEMBL12953568

SCHEMBL12953568

[O-][n+]1cccc(CNc2cc(C3CCCNC3)nc3c(Br)cnn23)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.73
▸ CDK2 P24941 7/20 0.58
▸ CCNA2 P20248 4/20 0.58
▸ CCNA1 P78396 4/20 0.58
▸ CHEK1 O14757 8/20 0.57
▸ CDK9 P50750 5/20 0.51
▸ CDK5 Q00535 5/20 0.51
▸ CDK1 P06493 4/20 0.51
▸ GSK3A P49840 2/20 0.45
▸ CDK7 P50613 2/20 0.45
▸ TAOK1 Q7L7X3 2/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CCNT2 O60583 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ CCNK O75909 1/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ CCNE2 O96020 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ ERCC2 P18074 1/20 0.45

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
SCHEMBL12954279 0.90 GSK3B (0.71) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL13116805 0.90 GSK3B (0.70) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL12953000 0.84 GSK3B (1.00) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL13118035 0.83 CDK2 (0.60) GSK3BCDK2CCNA2CCNA1CDK9
SCHEMBL12953987 0.82 CDK2 (0.55) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL13116810 0.81 CDK2 (0.63) GSK3BCDK2CCNA2CCNA1CDK9
SCHEMBL12952898 0.81 GSK3B (0.72) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL13116921 0.81 CDK2 (0.61) GSK3BCDK2CCNA2CCNA1CDK9
SCHEMBL12954265 0.81 CDK2 (0.61) GSK3BCDK2CCNA2CCNA1CDK9
SCHEMBL12953834 0.81 CDK2 (0.63) GSK3BCDK2CCNA2CCNA1CDK9

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 13 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-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US 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
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-20070054906-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
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 — — US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — 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 (5 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 GSK3B 749/4885CDK2 1/4885CCNA2 29/4885
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CDK2 1/4885CCNA2 31/4885
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CDK2 1/4885CCNA2 31/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GSK3B 937/4885CDK2 1/4885CCNA2 50/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CDK2 1/4885CCNA2 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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