SCHEMBL6159434

SCHEMBL6159434

COc1ccccc1Nc1nccc(-c2sc(C)nc2C)n1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.71
CDK4 P11802 11/20 0.71
CDK1 P06493 5/20 0.67
AURKA O14965 4/20 0.67
CDK7 P50613 4/20 0.67
CDK9 P50750 4/20 0.67
AURKB Q96GD4 3/20 0.67
MKNK2 Q9HBH9 5/20 0.58
MKNK1 Q9BUB5 3/20 0.58
FLT3 P36888 2/20 0.58
EGFR P00533 1/20 0.57
PLK1 P53350 1/20 0.57
CCNB2 O95067 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
CCNE1 P24864 1/20 0.55

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
SCHEMBL6158104 0.83 CDK2 (0.74) CDK2CDK4CDK1AURKACDK7
SCHEMBL6157717 0.83 CDK2 (1.00) CDK2CDK4CDK1AURKACDK7
SCHEMBL6363173 0.83 CDK2 (0.74) CDK2CDK4CDK1AURKACDK7
SCHEMBL6156563 0.83 CDK2 (0.74) CDK2CDK4CDK1AURKACDK7
SCHEMBL4802719 0.80 CDK2 (0.79) CDK2CDK4CDK1AURKACDK7
SCHEMBL4159950 0.80 CDK2 (1.00) CDK2CDK4CDK1AURKACDK7
SCHEMBL6362626 0.80 CDK2 (0.73) CDK2CDK4CDK1AURKACDK7
SCHEMBL2284091 0.80 CDK2 (1.00) CDK2CDK4CDK1AURKACDK7
SCHEMBL4163989 0.80 CDK2 (0.75) CDK2CDK4CDK1AURKACDK7
SCHEMBL4170533 0.79 MKNK2 (0.64) CDK2CDK4CDK1AURKACDK7

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US disclosed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
US-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 US disclosed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 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 (3 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 3/4885CDK1 12/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 CDK2 2/4885CDK4 3/4885CDK1 12/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 CDK2 205/4885CDK4 477/4885CDK1 1558/4885

“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.