SCHEMBL1374884

SCHEMBL1374884

CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CDK7 P50613 16/20 1.00
CDK1 P06493 15/20 1.00
CDK4 P11802 15/20 1.00
MAPK1 P28482 14/20 1.00
CCNE1 P24864 14/20 1.00
CCNH P51946 14/20 1.00
CCNB1 P14635 13/20 1.00
CCND1 P24385 13/20 1.00
CDK9 P50750 9/20 1.00
CCNT1 O60563 4/20 1.00
CDK5 Q00535 2/20 1.00
MNAT1 P51948 1/20 1.00
CDK6 Q00534 1/20 1.00

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
SCHEMBL29829223 1.00 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1
SCHEMBL3336119 1.00 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1
SCHEMBL1378920 1.00 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1
SCHEMBL3855047 0.94 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1
SCHEMBL31061123 0.94 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1
SCHEMBL3853662 0.94 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1
SCHEMBL31061282 0.93 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1
SCHEMBL1376090 0.93 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1
SCHEMBL3858001 0.93 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1
SCHEMBL5072968 0.93 CDK2 (1.00) CDK2CDK7CDK1CDK4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US claimed
JP-4723858-B2 2011-07-13 JP claimed
US-20100143350-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2010-06-10 US claimed
EP-2139486-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2010-01-06 EP claimed
US-20090325983-A1 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-12-31 US claimed
EP-2010533-A2 PROCESS FOR THE PREPARATION OF 2,6,9-TRISUBSTITUTED PURINES Cyclacel Limited (GB) 2009-01-07 EP claimed
WO-2008122779-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2008-10-16 WO claimed
EP-1951307-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR Cyclacel Limited (GB) 2008-08-06 EP claimed
WO-2007110649-A2 PROCESS FOR THE PREPARATION OF 2,6,9-TRISUBSTITUTED PURINES CYCLACEL LIMITED (GB) 2007-10-04 WO claimed
WO-2007054725-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR CYCLACEL LIMITED (GB) 2007-05-18 WO claimed
EP-1529047-B1 NEW PURINE DERIVATIVES CYCLACEL LTD (GB) 2007-02-21 EP claimed
JP-2006506341-A 2006-02-23 JP claimed
EP-1529047-A2 NEW PURINE DERIVATIVES Cyclacel Limited (GB) 2005-05-11 EP claimed
WO-2004016612-A2 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2004-02-26 WO claimed
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-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-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
EP-1529047-B1 NEW PURINE DERIVATIVES CYCLACEL LTD (GB) 2007-02-21 EP disclosed
EP-1529047-A2 NEW PURINE DERIVATIVES Cyclacel Limited (GB) 2005-05-11 EP disclosed
WO-2004016612-A2 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2004-02-26 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-20090325983-A1 NEW PURINE DERIVATIVES C5, CYC1, CCNH CDK2 239/4885CDK7 932/4885CDK1 25/4885
US-20100143350-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CDK4, CDK2, CDK3 CDK2 2/4885CDK7 18/4885CDK1 6/4885

“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.