SCHEMBL5052445

SCHEMBL5052445

Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 1.00
▸ CDK4 P11802 14/20 1.00
▸ PLK1 P53350 4/20 1.00
▸ CCNE1 P24864 4/20 0.74
▸ CCNA2 P20248 2/20 0.72
▸ AURKA O14965 6/20 0.66
▸ CDK9 P50750 6/20 0.66
▸ CDK1 P06493 5/20 0.66
▸ AURKB Q96GD4 5/20 0.66
▸ CDK7 P50613 5/20 0.66
▸ CCNT1 O60563 2/20 0.66
▸ ABL1 P00519 2/20 0.66
▸ GSK3B P49841 2/20 0.66
▸ CDK5 Q00535 2/20 0.66
▸ SYK P43405 2/20 0.66
▸ CDC7 O00311 1/20 0.66
▸ PLK4 O00444 1/20 0.66
▸ CIT O14578 1/20 0.66
▸ CHEK1 O14757 1/20 0.66
▸ GAK O14976 1/20 0.66

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
SCHEMBL4799684 0.88 CDK2 (0.78) CDK2CDK4PLK1CCNE1CCNA2
SCHEMBL4797791 0.88 CDK2 (0.78) CDK2CDK4PLK1CCNE1CCNA2
SCHEMBL2073680 0.88 CDK2 (0.78) CDK2CDK4PLK1CCNE1CCNA2
SCHEMBL2076190 0.88 CDK2 (0.78) CDK2CDK4PLK1CCNE1CCNA2
SCHEMBL2283342 0.87 CDK2 (0.77) CDK2CDK4PLK1CCNE1CCNA2
SCHEMBL2289103 0.87 CDK2 (1.00) CDK2CDK4PLK1CCNE1CCNA2
SCHEMBL4801528 0.86 CDK2 (0.79) CDK2CDK4PLK1CCNE1CCNA2
SCHEMBL4798853 0.85 CDK2 (0.74) CDK2CDK4PLK1CCNE1CCNA2
SCHEMBL4802860 0.85 CDK2 (1.00) CDK2CDK4PLK1CCNE1CCNA2
SCHEMBL1803663 0.85 CDK2 (0.73) CDK2CDK4PLK1CCNE1CCNA2

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 26 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
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-20080132484-A1 Method for Identifying Inhibitors Using a Homology Model of Polo-Like Kinase 1 CYCLACEL LIMITED (GB) 2008-06-05 — — US disclosed
CN-100355751-C 2-substd. 4-heteroaryl-pyrimidines and their use in treatment of proliferative disorders CYCLACEL LTD (GB) 2007-12-19 — — CN disclosed
EP-1683056-A2 METHOD FOR IDENTIFYING INHIBITORS USING A HOMOLOGY MODEL OF POLO-LIKE KINASE 1 Cyclacel Limited (GB) 2006-07-26 — — EP disclosed
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 — — 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 (4 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-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.

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