SCHEMBL2285673

SCHEMBL2285673

COCCN(C(=O)O)c1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.63
CDK4 P11802 14/20 0.63
AURKA O14965 7/20 0.63
CDK9 P50750 6/20 0.63
AURKB Q96GD4 6/20 0.63
CDK1 P06493 5/20 0.63
CDK7 P50613 5/20 0.63
CCNE1 P24864 3/20 0.63
PLK1 P53350 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
SCHEMBL2286521 0.90 CDK2 (0.62) CDK2CDK4AURKACDK9AURKB
SCHEMBL2281006 0.88 CDK2 (0.48) CDK2CDK4AURKACDK9AURKB
SCHEMBL2286997 0.87 CDK2 (0.47) CDK2CDK4AURKACDK9AURKB
SCHEMBL2286487 0.85 CDK2 (0.44) CDK2CDK4AURKACDK9AURKB
SCHEMBL2286095 0.80 CDK2 (0.43) CDK2CDK4CDK9CDK1CDK7
SCHEMBL2284343 0.80 CDK2 (0.48) CDK2CDK4AURKACDK9AURKB
SCHEMBL2286136 0.80 IKBKB (0.42) CDK2CDK4AURKACDK9AURKB
SCHEMBL2283853 0.79 CDK2 (0.47) CDK2CDK4AURKACDK9AURKB
SCHEMBL2282796 0.79 CDK2 (0.46) CDK2CDK4AURKACDK9AURKB
SCHEMBL2286079 0.79 CDK2 (0.38) CDK2CDK4AURKACDK9AURKB

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

“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.