SCHEMBL1011679

SCHEMBL1011679

NCC1CCCN(C(N)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 3/20 0.36
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
KDM1A O60341 1/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
EPHX2 P34913 2/20 0.35
F10 P00742 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28786378 1.00 ITGB3 (0.40) ITGB3ITGA2BCSNK2A2CSNK2A1ALDH1A1
SCHEMBL1009375 0.85 ITGB3 (0.41) ITGB3ITGA2BALDH1A1MAPK1LMNA
SCHEMBL1694214 0.85 ITGB3 (0.43) ITGB3ITGA2BCSNK2A2CSNK2A1ALDH1A1
SCHEMBL856443 0.85 ITGB3 (0.43) ITGB3ITGA2BCSNK2A2CSNK2A1ALDH1A1
SCHEMBL1694358 0.85 ITGB3 (0.43) ITGB3ITGA2BCSNK2A2CSNK2A1ALDH1A1
SCHEMBL13548205 0.85 EPHX2 (0.47) ALDH1A1EPHX2SMN1; SMN2
SCHEMBL15244585 0.83 ITGB3 (0.39) ITGB3ITGA2BCSNK2A2CSNK2A1ALDH1A1
SCHEMBL1700711 0.83 CYP4F2 (0.39) ITGB3ITGA2BCSNK2A2CSNK2A1ALDH1A1
SCHEMBL15774971 0.83 ITGB3 (0.39) ITGB3ITGA2BALDH1A1MAPK1LMNA
SCHEMBL14813701 0.83 ALDH1A1 (0.43) ITGB3ITGA2BALDH1A1MAPK1LMNA

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 65 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
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-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2194058-B1 Pyrazolopyrimidines suitable for the treatment of cancer diseases MERCK SHARP & DOHME (US) 2013-11-27 EP 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-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
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
CN-1880317-A Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORP (US) 2006-12-20 CN disclosed
EP-1720882-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2006-11-15 EP disclosed
US-7119200-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2006-10-10 US disclosed
US-20060128725-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-06-15 US disclosed
CN-1735614-A Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORP (US) 2006-02-15 CN disclosed
WO-2005077954-A2 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-08-25 WO disclosed
EP-1537116-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2005-06-08 EP disclosed
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2004-10-21 US disclosed
WO-2004022561-A1 PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2004-03-18 WO 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 (2 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-20060128725-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A ITGB3 4714/4885ITGA2B 4773/4885CSNK2A2 163/4885
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDK5 ITGB3 4683/4885ITGA2B 4798/4885CSNK2A2 207/4885

“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.