SCHEMBL12952973

SCHEMBL12952973

O=c1cc(-c2cccc(C(F)(F)F)c2)[nH]c2ccnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.47
NOTUM Q6P988 1/20 0.45
NPY5R Q15761 1/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
LDHA P00338 1/20 0.43
XDH P47989 1/20 0.43
CDC7 O00311 1/20 0.42
MAPT P10636 1/20 0.40
TYMP P19971 1/20 0.40
PLAT P00750 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CYP17A1 P05093 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
GPX4 P36969 1/20 0.39
GSK3B P49841 1/20 0.39
PIM3 Q86V86 1/20 0.39
BRSK1 Q8TDC3 1/20 0.39

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
SCHEMBL12953145 0.80 ERCC1 (0.50) ALPLALPICDC7MAPTGSK3B
SCHEMBL2637798 0.76 SCN2A (0.44) SCN2ANOTUMNPY5RLDHAXDH
SCHEMBL21721713 0.75 CCNB2 (0.43) CDC7MAPTGSK3B
SCHEMBL13778050 0.73 CDK8 (0.43) MAPT
SCHEMBL13778096 0.72 ERCC1 (0.34) MAPT
SCHEMBL12953284 0.72 CCNB2 (0.43) MAPT
SCHEMBL2197780 0.70 KDM5B (0.43) NOTUMLDHACDC7PLAT
SCHEMBL12952989 0.69 CCNB2 (0.47) NOTUMNPY5RMAPTTYMPPLAT
SCHEMBL12952980 0.68 CCNB2 (0.47) MAPTGSK3B
SCHEMBL12953630 0.67 C1R (0.35) MAPTPIM1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
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-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
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
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
EP-1934224-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2010-06-09 EP disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 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-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-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
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 (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-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A SCN2A 4496/4885NOTUM 4098/4885NPY5R 3178/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A SCN2A 4577/4885NOTUM 1605/4885NPY5R 2783/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A SCN2A 4496/4885NOTUM 4098/4885NPY5R 3178/4885

“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.