SCHEMBL12952989

SCHEMBL12952989

N#Cc1ccc(-c2cc(=O)n3nccc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
TYMP P19971 1/20 0.42
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP19A1 P11511 3/20 0.38
PLAT P00750 2/20 0.37
NPY5R Q15761 1/20 0.37
EGLN2 Q96KS0 3/20 0.37
MAPT P10636 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL12953284 0.81 CCNB2 (0.43) CCNB2CDK1CCNB1CCNB3GCGR
SCHEMBL13778096 0.81 ERCC1 (0.34) MAPT
SCHEMBL12953145 0.80 ERCC1 (0.50) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL13516530 0.71 PLAT (0.48) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL18439807 0.70 CCNB2 (0.43) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL14545785 0.70 KDM5A (0.40) PLATMAPT
SCHEMBL10313454 0.70 ALDH1A1 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10313591 0.69 KDM4E (0.41) CYP19A1PLATMAPT
SCHEMBL31468364 0.69 KDM4E (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL31468421 0.69 DRD1 (0.37) GCGRMAPK14PLAT

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-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
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
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 CCNB2 51/4885CDK1 3/4885CCNB1 48/4885
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CCNB2 50/4885CDK1 2/4885CCNB1 46/4885
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CCNB2 50/4885CDK1 2/4885CCNB1 46/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A CCNB2 63/4885CDK1 5/4885CCNB1 52/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CCNB2 50/4885CDK1 2/4885CCNB1 46/4885

“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.