SCHEMBL2289132

SCHEMBL2289132

COc1ccc(Nc2nccc(-c3sc(NC(C)CO)nc3C)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.51
CDK4 P11802 15/20 0.51
CCNA2 P20248 4/20 0.51
PLK1 P53350 3/20 0.51
CDK9 P50750 10/20 0.49
CDK1 P06493 9/20 0.49
AURKA O14965 8/20 0.49
CDK7 P50613 8/20 0.49
AURKB Q96GD4 7/20 0.49
FLT3 P36888 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CCND1 P24385 3/20 0.43
CCND3 P30281 3/20 0.43
CDK6 Q00534 3/20 0.43
CCNT1 O60563 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNH P51946 2/20 0.43
WEE1 P30291 1/20 0.43
ALK Q9UM73 1/20 0.43

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
SCHEMBL2285884 0.85 CDK2 (0.64) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL2286285 0.84 CDK2 (0.71) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL2283519 0.84 CDK2 (0.56) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL5620027 0.84 CDK2 (0.67) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL5621065 0.84 CDK2 (0.69) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL2284073 0.83 CDK2 (0.63) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL2284504 0.83 CDK2 (0.72) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL5621875 0.81 CDK2 (0.55) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL2286437 0.81 CDK2 (0.58) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL5620620 0.81 CDK2 (0.69) CDK2CDK4PLK1CDK9CDK1

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 776/4885CCNA2 2012/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885CCNA2 1963/4885

“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.