SCHEMBL11930801

SCHEMBL11930801

Nc1cc(N2CC[C@H](N)C2)nc2c([N+](=O)[O-])cnn12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.45
▸ HRH4 Q9H3N8 10/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ KCNH2 Q12809 2/20 0.37
▸ TYK2 P29597 1/20 0.35
▸ IKBKB O14920 2/20 0.34
▸ PTPN11 Q06124 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 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
SCHEMBL14516590 0.82 HRH4 (0.51) HRH4HRH3TYK2PTPN11
SCHEMBL11930832 0.80 HRH4 (0.49) HRH4HRH3TYK2IKBKBPTPN11
SCHEMBL11930831 0.80 HRH4 (0.49) DPP4HRH4HRH3TYK2PTPN11
SCHEMBL11930818 0.80 HRH4 (0.49) HRH4HRH3TYK2PTPN11
SCHEMBL15393808 0.80 HRH4 (0.51) DPP4HRH4HRH3TYK2
SCHEMBL15393799 0.80 HRH4 (0.51) DPP4HRH4HRH3TYK2
SCHEMBL11930824 0.80 HRH4 (0.49) HRH4HRH3TYK2PTPN11
SCHEMBL11930837 0.80 HRH4 (0.49) DPP4HRH4HRH3PTPN11
SCHEMBL11930781 0.79 HRH4 (0.57) HRH4HRH3TYK2IKBKBPTPN11
SCHEMBL11930839 0.78 KCNH2 (0.40) DPP4HRH4HRH3KCNH2

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
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 DPP4 1747/4885HRH4 4153/4885HRH3 4146/4885
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A DPP4 1712/4885HRH4 3989/4885HRH3 3475/4885
US-20070281951-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A DPP4 2231/4885HRH4 4197/4885HRH3 4122/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 DPP4 1109/4885HRH4 3797/4885HRH3 3090/4885
US-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer IGF1R, IGFBP2, EGFR DPP4 4176/4885HRH4 2143/4885HRH3 1848/4885

“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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