SCHEMBL11930827

SCHEMBL11930827

Nc1cc(N2CC(N)C2)nc2c(Br)cnn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.48
▸ CHEK1 O14757 2/20 0.48
▸ CCNA2 P20248 2/20 0.48
▸ CCNA1 P78396 2/20 0.48
▸ HRH3 Q9Y5N1 4/20 0.43
▸ HRH4 Q9H3N8 5/20 0.40
▸ ABL1 P00519 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GSK3B P49841 3/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ SMPD3 Q9NY59 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL11930818 0.89 HRH4 (0.49) CDK2CHEK1CCNA2CCNA1HRH3
SCHEMBL11930824 0.89 HRH4 (0.49) CDK2CHEK1CCNA2CCNA1HRH3
SCHEMBL11930825 0.86 CDK2 (0.47) CDK2CHEK1CCNA2CCNA1HRH3
SCHEMBL15393803 0.83 HRH3 (0.54) HRH3HRH4SMPD3KDM4EMEN1
SCHEMBL13845460 0.82 CDK2 (0.50) CDK2CHEK1CCNA2CCNA1HRH4
SCHEMBL11930813 0.79 CDK2 (0.51) CDK2CHEK1CCNA2CCNA1HRH3
SCHEMBL15146127 0.77 HRH4 (0.53) HRH3HRH4
SCHEMBL14543100 0.77 HRH4 (0.53) HRH3HRH4
SCHEMBL14516590 0.75 HRH4 (0.51) HRH3HRH4SMPD3
SCHEMBL11930826 0.75 CHEK1 (0.53) CDK2CHEK1CCNA2CCNA1HRH3

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 CDK2 1/4885CHEK1 58/4885CCNA2 29/4885
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A CDK2 10/4885CHEK1 2/4885CCNA2 85/4885
US-20070281951-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885CHEK1 57/4885CCNA2 32/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CDK2 64/4885CHEK1 8/4885CCNA2 1270/4885
US-20110129456-A1 Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer IGF1R, IGFBP2, EGFR CDK2 110/4885CHEK1 36/4885CCNA2 21/4885

“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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