SCHEMBL11930841

SCHEMBL11930841

Nc1c(Br)c(N[C@H]2CC[C@@H](N)CC2)nc2c(Br)cnn12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.44
▸ MAPKAPK2 P49137 2/20 0.44
▸ GSK3B P49841 3/20 0.43
▸ ADORA2A P29274 3/20 0.41
▸ CHEK1 O14757 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ FLT3 P36888 1/20 0.35

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
SCHEMBL11930844 1.00 CDK2 (0.44) CDK2MAPKAPK2GSK3BADORA2ACHEK1
SCHEMBL14543068 0.76 CDK2 (0.57) CDK2MAPKAPK2GSK3BCHEK1CCNA2
SCHEMBL11930830 0.76 CDK2 (0.57) CDK2MAPKAPK2GSK3BCHEK1CCNA2
SCHEMBL11930829 0.76 CDK2 (0.57) CDK2MAPKAPK2GSK3BCHEK1CCNA2
SCHEMBL12404144 0.74 CDK2 (0.45) CDK2MAPKAPK2GSK3BCHEK1CCNA2
SCHEMBL11930847 0.70 ABL1 (0.38) CDK2CHEK1CCNA2CCNA1ABL1
SCHEMBL11930846 0.70 ABL1 (0.38) CDK2CHEK1CCNA2CCNA1ABL1
Hydrochloric Acid SCHEMBL30991903 0.67 CDK2 (0.39) CDK2MAPKAPK2GSK3BCSNK2A1
SCHEMBL30991926 0.66 CDK2 (0.39) CDK2MAPKAPK2GSK3BCHEK1CCNA2
SCHEMBL14545937 0.65 ADORA2A (0.42) CDK2ADORA2ACHEK1CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer MERCK SHARP & DOHME CORP. 2011-06-02 — — US disclosed
US-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer MERCK SHARP & DOHME CORP. 2011-06-02 — — US disclosed
WO-2010124009-A2 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING SCHERING CORPORATION (US) 2010-10-28 — — WO disclosed
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
US-20070281951-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-12-06 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US 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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS 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-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — 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 (5 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 CDK2 1/4885MAPKAPK2 196/4885GSK3B 749/4885
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A CDK2 10/4885MAPKAPK2 228/4885GSK3B 235/4885
US-20070281951-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885MAPKAPK2 209/4885GSK3B 743/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CDK2 64/4885MAPKAPK2 44/4885GSK3B 334/4885
US-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer IGF1R, IGFBP2, EGFR CDK2 110/4885MAPKAPK2 1245/4885GSK3B 3038/4885

“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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