SCHEMBL11930843

SCHEMBL11930843

Nc1c(Cl)c(N2CC[C@H](N)C2)nc2c(Br)cnn12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 12/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAT2A P31153 1/20 0.36
▸ CDK2 P24941 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL11930848 1.00 HRH4 (0.38) HRH4PTPN11AKT1ABL1KDR
SCHEMBL11930846 0.88 ABL1 (0.38) HRH4ABL1KDRCDK2CHEK1
SCHEMBL11930847 0.88 ABL1 (0.38) HRH4ABL1KDRCDK2CHEK1
SCHEMBL11930854 0.88 PTPN11 (0.41) HRH4PTPN11AKT1MAT2ACDK2
SCHEMBL14545940 0.87 SMPD3 (0.40) HRH4ABL1KDRCDK2CHEK1
SCHEMBL15393813 0.86 AKT1 (0.40) HRH4PTPN11AKT1MAT2AMKNK1
SCHEMBL15393809 0.86 AKT1 (0.40) HRH4PTPN11AKT1MAT2AMKNK1
SCHEMBL11931290 0.85 AKT1 (0.37) HRH4AKT1ABL1KDRCDK2
SCHEMBL11931211 0.85 HRH4 (0.41) HRH4AKT1ABL1KDRCDK2
SCHEMBL13617800 0.82 ABL1 (0.38) ABL1KDRCDK2CHEK1CCNA2

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 25 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-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-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 HRH4 4153/4885PTPN11 1430/4885AKT1 491/4885
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A HRH4 3989/4885PTPN11 377/4885AKT1 718/4885
US-20070281951-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A HRH4 4197/4885PTPN11 1533/4885AKT1 481/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 HRH4 3797/4885PTPN11 740/4885AKT1 236/4885
US-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer IGF1R, IGFBP2, EGFR HRH4 2143/4885PTPN11 1300/4885AKT1 2290/4885

“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.

Send feedback