SCHEMBL2284091

SCHEMBL2284091

Cc1nc(C)c(-c2ccnc(Nc3ccccc3)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CDK4 P11802 14/20 1.00
AURKA O14965 5/20 0.78
CDK1 P06493 4/20 0.78
CDK7 P50613 4/20 0.78
CDK9 P50750 4/20 0.78
AURKB Q96GD4 4/20 0.78
PLK1 P53350 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) CDK2CDK4AURKACDK1CDK7
SCHEMBL2288473 0.88 CDK2 (0.79) CDK2CDK4AURKACDK1CDK7
SCHEMBL6160035 0.86 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL2075942 0.86 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL2283514 0.86 CDK2 (0.76) CDK2CDK4AURKACDK1CDK7
SCHEMBL2289103 0.86 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL6157812 0.86 CDK2 (0.79) CDK2CDK4AURKACDK1CDK7
SCHEMBL6157084 0.86 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL2283342 0.86 CDK2 (0.77) CDK2CDK4AURKACDK1CDK7
SCHEMBL6158693 0.86 CDK2 (0.79) 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 10 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-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110168253-A1 ELECTRODE SUBSTRATE AND PHOTOELECTRIC TRANSFORMATION DEVICE SAMSUNG SDI CO., LTD. (KR) 2011-07-14 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 US disclosed
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 CN disclosed
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

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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX CDK2 2065/4885CDK4 776/4885AURKA 2085/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885AURKA 2015/4885
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.