SCHEMBL6158693

SCHEMBL6158693

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.79
CDK4 P11802 14/20 0.79
AURKA O14965 5/20 0.79
CDK1 P06493 4/20 0.79
CDK7 P50613 4/20 0.79
CDK9 P50750 4/20 0.79
AURKB Q96GD4 4/20 0.79
PLK1 P53350 1/20 0.77
CCNE1 P24864 2/20 0.73
TUBB4A P04350 1/20 0.60
TUBB P07437 1/20 0.60
TUBA3C P0DPH7 1/20 0.60
TUBA1B P68363 1/20 0.60
TUBA4A P68366 1/20 0.60
TUBB4B P68371 1/20 0.60
TUBB3 Q13509 1/20 0.60
TUBB2A Q13885 1/20 0.60
TUBB8 Q3ZCM7 1/20 0.60
TUBA3E Q6PEY2 1/20 0.60
TUBA1A Q71U36 1/20 0.60

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) CDK2CDK4AURKACDK1CDK7
SCHEMBL4799684 0.87 CDK2 (0.78) CDK2CDK4AURKACDK1CDK7
SCHEMBL6157812 0.87 CDK2 (0.79) CDK2CDK4AURKACDK1CDK7
SCHEMBL6157084 0.87 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL6160035 0.87 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL2289103 0.87 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL2075942 0.87 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL2284091 0.86 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL6157175 0.86 CDK2 (0.78) CDK2CDK4AURKACDK1CDK7
SCHEMBL6158722 0.85 CDK2 (0.75) CDK2CDK4AURKACDK1CDK7

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 15 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
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 3/4885AURKA 85/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 CDK2 2/4885CDK4 3/4885AURKA 85/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 CDK2 205/4885CDK4 477/4885AURKA 3011/4885

“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.