SCHEMBL11930904

SCHEMBL11930904

Nc1cc(C2CCCNC2)nc2c(-c3cscn3)cnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 17/20 1.00
▸ CDK2 P24941 17/20 1.00
▸ CCNA1 P78396 17/20 1.00
▸ CHEK1 O14757 19/20 0.71

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
SCHEMBL14543052 0.87 CCNA2 (0.77) CCNA2CDK2CCNA1CHEK1
SCHEMBL14516261 0.87 CCNA2 (0.77) CCNA2CDK2CCNA1CHEK1
SCHEMBL11931334 0.84 CCNA2 (0.72) CCNA2CDK2CCNA1CHEK1
SCHEMBL11930769 0.83 CHEK1 (1.00) CCNA2CDK2CCNA1CHEK1
SCHEMBL14543137 0.82 CHEK1 (1.00) CCNA2CDK2CCNA1CHEK1
SCHEMBL11930898 0.82 CHEK1 (0.74) CCNA2CDK2CCNA1CHEK1
SCHEMBL14231698 0.80 CHEK1 (0.77) CCNA2CDK2CCNA1CHEK1
SCHEMBL11930867 0.80 CHEK1 (1.00) CCNA2CDK2CCNA1CHEK1
SCHEMBL11930771 0.80 CHEK1 (1.00) CCNA2CDK2CCNA1CHEK1
SCHEMBL11930780 0.80 CHEK1 (0.71) CCNA2CDK2CCNA1CHEK1

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 15 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
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — 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-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-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-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A CCNA2 85/4885CDK2 10/4885CCNA1 65/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CCNA2 1270/4885CDK2 64/4885CCNA1 1142/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CCNA2 1270/4885CDK2 64/4885CCNA1 1142/4885
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CCNA2 29/4885CDK2 1/4885CCNA1 22/4885

“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.

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