SCHEMBL2289277

SCHEMBL2289277

Cc1nc(NC(C)CO)sc1-c1ccnc(Nc2ccc(NS(C)(=O)=O)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.54
CDK4 P11802 12/20 0.54
PLK1 P53350 3/20 0.54
CCNA2 P20248 2/20 0.54
CDK9 P50750 10/20 0.50
AURKA O14965 9/20 0.50
AURKB Q96GD4 8/20 0.50
CDK7 P50613 7/20 0.50
CDK1 P06493 7/20 0.50
CCNT1 O60563 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNH P51946 1/20 0.47
CCNA1 P78396 1/20 0.47
MAPK8 P45983 2/20 0.47
MAPK10 P53779 1/20 0.47
WEE1 P30291 3/20 0.47
ALK Q9UM73 3/20 0.47
FLT3 P36888 2/20 0.47
CHEK1 O14757 1/20 0.47
DAPK3 O43293 1/20 0.47

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
SCHEMBL2283611 0.91 CDK2 (0.55) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2286298 0.89 CDK2 (0.50) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2286285 0.87 CDK2 (0.71) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2285884 0.86 CDK2 (0.64) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2284073 0.86 CDK2 (0.63) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2286437 0.86 CDK2 (0.58) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2286813 0.81 CDK2 (0.52) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2289132 0.80 CDK2 (0.51) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2278651 0.80 CDK2 (0.73) CDK2CDK4PLK1CCNA2CDK9
SCHEMBL2281302 0.79 CDK2 (0.67) CDK2CDK4PLK1CCNA2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 776/4885PLK1 4801/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885PLK1 4819/4885

“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.