SCHEMBL11930837

SCHEMBL11930837

Nc1cc(N2CC[C@H](N)C2)nc2c(Cl)cnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 12/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.45
▸ PTPN11 Q06124 1/20 0.43
▸ CCNT1 O60563 3/20 0.41
▸ CDK9 P50750 3/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CCND1 P24385 2/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CCNH P51946 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ CDK3 Q00526 2/20 0.41
▸ CDK6 Q00534 2/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ CDK5R1 Q15078 2/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ CCNC P24863 1/20 0.40

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
SCHEMBL14516590 0.87 HRH4 (0.51) HRH4HRH3PTPN11
SCHEMBL11930831 0.85 HRH4 (0.49) HRH4HRH3PTPN11DPP4PIM1
SCHEMBL15393808 0.85 HRH4 (0.51) HRH4HRH3DPP4PIM1PIM2
SCHEMBL15393799 0.85 HRH4 (0.51) HRH4HRH3DPP4PIM1PIM2
SCHEMBL11930824 0.85 HRH4 (0.49) HRH4HRH3PTPN11CCNA2CDK2
SCHEMBL11930818 0.85 HRH4 (0.49) HRH4HRH3PTPN11CCNA2CDK2
SCHEMBL13153140 0.83 HRH4 (0.53) HRH4HRH3
SCHEMBL11930832 0.82 HRH4 (0.49) HRH4HRH3PTPN11PIM1PIM2
SCHEMBL11930781 0.81 HRH4 (0.57) HRH4HRH3PTPN11CCNA2CDK2
SCHEMBL11930801 0.80 DPP4 (0.45) HRH4HRH3PTPN11DPP4

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 24 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
EP-2217611-B1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 — — 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-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
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 4153/4885HRH3 4146/4885PTPN11 1430/4885
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A HRH4 3989/4885HRH3 3475/4885PTPN11 377/4885
US-20070281951-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A HRH4 4197/4885HRH3 4122/4885PTPN11 1533/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 HRH4 3797/4885HRH3 3090/4885PTPN11 740/4885
US-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer IGF1R, IGFBP2, EGFR HRH4 2143/4885HRH3 1848/4885PTPN11 1300/4885

“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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