SCHEMBL11931270

SCHEMBL11931270

Cn1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 1.00
CCNA2 P20248 9/20 1.00
CDK2 P24941 9/20 1.00
CCNA1 P78396 9/20 1.00
RPS6KA4 O75676 1/20 0.69
STK10 O94804 1/20 0.69
LATS1 O95835 1/20 0.69
PAK4 O96013 1/20 0.69
RET P07949 1/20 0.69
PIM1 P11309 1/20 0.69
NQO2 P16083 1/20 0.69
CSNK2A2 P19784 1/20 0.69
MARK3 P27448 1/20 0.69
MAP2K2 P36507 1/20 0.69
TGFBR2 P37173 1/20 0.69
PRKCI P41743 1/20 0.69
PSMC4 P43686 1/20 0.69
PRKCD Q05655 1/20 0.69
MAP2K5 Q13163 1/20 0.69
MAP3K1 Q13233 1/20 0.69

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
SCHEMBL11937079 1.00 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL11930934 0.88 CHEK1 (0.79) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930933 0.88 CHEK1 (0.79) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231706 0.88 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL14542883 0.88 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL14542956 0.88 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL14542898 0.88 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL2679445 0.87 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931272 0.87 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL11930926 0.86 CHEK1 (0.76) CHEK1CCNA2CDK2CCNA1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069349-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 EP disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 US disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 US disclosed
EP-1931676-B1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORP (US) 2011-11-16 EP disclosed
US-7776865-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2010-08-17 US disclosed
US-7776865-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2010-08-17 US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 US disclosed
US-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 US disclosed
US-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 US disclosed
WO-2008045267-A2 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-04-17 WO disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2007-04-12 US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 US disclosed
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2007-04-12 US disclosed
WO-2007041712-A1 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-12 WO disclosed
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 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 (4 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CHEK1 8/4885CCNA2 1270/4885CDK2 64/4885
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors CHEK1, CHEK2, BUB1 CHEK1 1/4885CCNA2 675/4885CDK2 8/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CHEK1 8/4885CCNA2 1270/4885CDK2 64/4885
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CHEK1 60/4885CCNA2 29/4885CDK2 1/4885

“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.