Sugi Predict

Sugi Predict / Compounds / SCHEMBL11930883

SCHEMBL11930883

SCHEMBL11930883

CCc1cnn2c(NCc3ccc4c(c3)ncn4C)cc(N[C@H]3CCCC[C@H]3CO)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.43
▸ CDK9 P50750 6/20 0.43
▸ CDK5 Q00535 4/20 0.43
▸ CDK1 P06493 4/20 0.43
▸ CDK7 P50613 5/20 0.39
▸ CCNE1 P24864 3/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ TAOK1 Q7L7X3 2/20 0.39
▸ CCNH P51946 2/20 0.39
▸ MNAT1 P51948 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNT2 O60583 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39

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
SCHEMBL14043244 0.95 CDK2 (0.40) CDK2CDK9CDK5CDK1CDK7
SCHEMBL14516595 0.91 GSK3B (0.39) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12953004 0.91 CDK2 (0.39) CDK2CDK9CDK5CDK1CDK7
SCHEMBL11930874 0.90 GSK3B (0.42) CDK2CDK7CCNE1GSK3BCCNH
SCHEMBL14194674 0.86 KDM4E (0.38) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12953697 0.84 CDK2 (0.47) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12953797 0.84 CDK2 (0.49) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12954133 0.82 CDK2 (0.50) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12954261 0.82 CDK2 (0.46) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12952983 0.80 CDK2 (0.47) CDK2CDK9CDK5CDK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US 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
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — 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
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
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — 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 1/4885CDK9 9/4885CDK5 6/4885
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885CDK9 9/4885CDK5 5/4885
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885CDK9 9/4885CDK5 5/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CDK2 64/4885CDK9 117/4885CDK5 53/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CDK2 64/4885CDK9 117/4885CDK5 53/4885

“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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