SCHEMBL3332989

SCHEMBL3332989

CCCN(CO)c1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 13/20 0.76
▸ CDK5 Q00535 10/20 0.76
▸ CDK2 P24941 12/20 0.72
▸ CCNE1 P24864 9/20 0.72
▸ CCNE2 O96020 8/20 0.72
▸ TDP1 Q9NUW8 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ CCNB1 P14635 4/20 0.64
▸ CDK7 P50613 4/20 0.64
▸ CDK9 P50750 4/20 0.64
▸ CCNT1 O60563 2/20 0.64
▸ CCNA2 P20248 2/20 0.64
▸ CCNH P51946 2/20 0.64
▸ MNAT1 P51948 2/20 0.64
▸ CDK5R1 Q15078 2/20 0.64
▸ PDE5A O76074 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ PDE10A Q9Y233 1/20 0.64

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
SCHEMBL6016705 0.91 CDK2 (0.69) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL2364042 0.89 CDK1 (0.87) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL4277404 0.86 CDK1 (1.00) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL7098593 0.83 KDM4E (0.70) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL7006709 0.82 CDK1 (0.61) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL17450143 0.82 CDK1 (0.66) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL17450111 0.82 CDK1 (0.66) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL14071580 0.81 CDK2 (0.85) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL3680752 0.79 CCNE1 (0.82) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL6143053 0.79 CDK2 (1.00) CDK1CDK5CDK2CCNE1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076268-A1 PURINE DERIVATIVES FOR THE TREATMENT OF CYSTIC DISEASES Genzyme Corporation (US) 2009-07-08 — — EP claimed
EP-2010533-A2 PROCESS FOR THE PREPARATION OF 2,6,9-TRISUBSTITUTED PURINES Cyclacel Limited (GB) 2009-01-07 — — EP claimed
WO-2008051502-A1 PURINE DERIVATIVES FOR THE TREATMENT OF CYSTIC DISEASES GENZYME CORPORATION (US) 2008-05-02 — — WO claimed
WO-2007110649-A2 PROCESS FOR THE PREPARATION OF 2,6,9-TRISUBSTITUTED PURINES CYCLACEL LIMITED (GB) 2007-10-04 — — WO claimed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 — — US claimed
WO-2017208019-A1 DOSING REGIMEN FOR SAPACITABIN AND SELICICLIB CYCLACEL LIMITED (GB) 2017-12-07 — — WO disclosed
EP-3148532-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF CANCER Piramal Enterprises Limited (IN) 2017-04-05 — — EP disclosed
WO-2015181737-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF CANCER Piramal Enterprises Limited (IN) 2015-12-03 — — WO disclosed
US-9173938-B2 Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2015-11-03 — — US disclosed
US-8809350-B2 Purine and pyrimidine CDK inhibitors and their use for the treatment of autoimmune diseases CYCLACEL LIMITED (GB) 2014-08-19 — — US disclosed
US-20120309723-A1 PURINE AND PYRIMIDINE CDK INHIBITORS AND THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISEASES CYCLACEL LIMITED (GB) 2012-12-06 — — US disclosed
EP-1799230-B1 PURINE AND PYRIMIDINE CDK INHIBITORS AND THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISEASES CYCLACEL LTD (GB) 2012-11-21 — — EP disclosed
US-6620818-B1 Administering indolin-2-one derivative as cyclin-dependent kinase inhibitor SMITHKLINE BEECHAM CORPORATION 2003-09-16 — — US disclosed
EP-1308447-A1 Purine derivatives having antiproliferative properties and biological uses thereof Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2003-05-07 — — EP disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 — — US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 — — US disclosed
EP-1177016-A2 COMPOSITION AND METHOD FOR PREVENTING/REDUCING THE SEVERITY OF SIDE EFFECTS OF CHEMOTHERAPY AND/OR RADIATION THERAPY GLAXO GROUP LIMITED (GB) 2002-02-06 — — EP disclosed
WO-2000078299-A2 COMPOSITION AND METHOD FOR PREVENTING/REDUCING THE SEVERITY OF SIDE EFFECTS OF CHEMOTHERAPY AND/OR RADIATION THERAPY GLAXO GROUP LIMITED (GB) 2000-12-28 — — WO disclosed
EP-0874847-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-11-04 — — EP disclosed
WO-1997020842-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 1997-06-12 — — WO 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 (2 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-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 CDK1 3/4885CDK5 17/4885CDK2 2/4885
US-20120309723-A1 PURINE AND PYRIMIDINE CDK INHIBITORS AND THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISEASES CDK9, CDK7, CDK2 CDK1 14/4885CDK5 10/4885CDK2 3/4885

“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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