SCHEMBL2289103

SCHEMBL2289103

Cc1nc(C)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CDK4 P11802 15/20 1.00
PLK1 P53350 3/20 1.00
AURKA O14965 6/20 0.79
CDK1 P06493 5/20 0.79
CDK7 P50613 5/20 0.79
CDK9 P50750 5/20 0.79
AURKB Q96GD4 5/20 0.79
CCNA2 P20248 1/20 0.76
CCNE1 P24864 2/20 0.73

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
SCHEMBL12589637 0.89 CDK2 (0.82) CDK2CDK4PLK1AURKACDK1
SCHEMBL5052445 0.87 CDK2 (1.00) CDK2CDK4PLK1AURKACDK1
SCHEMBL6160035 0.87 CDK2 (1.00) CDK2CDK4PLK1AURKACDK1
SCHEMBL6157084 0.87 CDK2 (1.00) CDK2CDK4PLK1AURKACDK1
SCHEMBL6157812 0.87 CDK2 (0.79) CDK2CDK4PLK1AURKACDK1
SCHEMBL2075942 0.87 CDK2 (1.00) CDK2CDK4PLK1AURKACDK1
SCHEMBL6158693 0.87 CDK2 (0.79) CDK2CDK4PLK1AURKACDK1
SCHEMBL2284091 0.86 CDK2 (1.00) CDK2CDK4PLK1AURKACDK1
SCHEMBL4312523 0.86 CDK2 (1.00) CDK2CDK4PLK1AURKACDK1
SCHEMBL4802162 0.86 CDK2 (0.76) CDK2CDK4PLK1AURKACDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132484-A1 Method for Identifying Inhibitors Using a Homology Model of Polo-Like Kinase 1 CYCLACEL LIMITED (GB) 2008-06-05 US claimed
CN-100355751-C 2-substd. 4-heteroaryl-pyrimidines and their use in treatment of proliferative disorders CYCLACEL LTD (GB) 2007-12-19 CN claimed
EP-1683056-A2 METHOD FOR IDENTIFYING INHIBITORS USING A HOMOLOGY MODEL OF POLO-LIKE KINASE 1 Cyclacel Limited (GB) 2006-07-26 EP claimed
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US claimed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP claimed
WO-2005047526-A2 METHOD FOR IDENTIFYING INHIBITORS USING A HOMOLOGY MODEL OF POLO-LIKE KINASE 1 CYCLACEL LIMITED (GB) 2005-05-26 WO claimed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO claimed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US claimed
CN-1420884-A 2-substituted 4-heteroaryl-pyrimidines and their use in the treatment of proliferative diseases CYCLACEL LTD (GB) 2003-05-28 CN claimed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 US claimed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP claimed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US claimed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 WO claimed
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 US disclosed
US-20080132484-A1 Method for Identifying Inhibitors Using a Homology Model of Polo-Like Kinase 1 CYCLACEL LIMITED (GB) 2008-06-05 US disclosed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 US disclosed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP disclosed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US disclosed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 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 (6 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-20020019404-A1 Anti-cancer compounds CDK3, CDK2, CDK4 CDK2 2/4885CDK4 3/4885PLK1 53/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 CDK2 2/4885CDK4 3/4885PLK1 53/4885
US-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX CDK2 2065/4885CDK4 776/4885PLK1 4801/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885PLK1 4819/4885
US-20080132484-A1 Method for Identifying Inhibitors Using a Homology Model of Polo-Like Kinase 1 PLK2, PLK4, PLK1 CDK2 548/4885CDK4 524/4885PLK1 3/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 CDK2 205/4885CDK4 477/4885PLK1 1343/4885

“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.