SCHEMBL1010204

SCHEMBL1010204

Clc1cc(-c2ccccc2)nc2c(Br)cnn12

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.69
CHEK1 O14757 1/20 0.69
CCNA2 P20248 1/20 0.69
CCNA1 P78396 1/20 0.69
GSK3B P49841 8/20 0.55
CCNE1 P24864 4/20 0.53
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.50
CSNK2A1 P68400 1/20 0.44
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AHR P35869 1/20 0.42

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
SCHEMBL12953200 0.88 CDK2 (0.54) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL29152855 0.84 ALDH1A1 (0.52) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL12953635 0.84 GSK3B (0.57) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL18004482 0.83 CDK2 (0.71) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL13117280 0.83 CDK2 (0.49) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL12953865 0.83 CDK2 (0.49) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL1009711 0.82 GSK3B (0.70) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL12953565 0.82 CDK2 (0.48) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL12953069 0.82 CDK2 (0.48) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL14492452 0.82 CDK2 (0.69) CDK2CHEK1CCNA2CCNA1GSK3B

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 79 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-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-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
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
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
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 CDK2 1/4885CHEK1 60/4885CCNA2 31/4885
US-20040209878-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDK5 CDK2 1/4885CHEK1 61/4885CCNA2 36/4885

“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.