SCHEMBL2283519

SCHEMBL2283519

COc1cccc(Nc2nccc(-c3sc(NC(C)CO)nc3C)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.56
CDK4 P11802 8/20 0.56
CDK1 P06493 5/20 0.56
AURKA O14965 3/20 0.56
AURKB Q96GD4 3/20 0.56
MKNK2 Q9HBH9 3/20 0.56
FLT3 P36888 2/20 0.56
CDC7 O00311 1/20 0.56
PLK4 O00444 1/20 0.56
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
MAPK13 O15264 1/20 0.56
DAPK3 O43293 1/20 0.56
DYRK3 O43781 1/20 0.56
JAK2 O60674 1/20 0.56
ROCK2 O75116 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
CHEK2 O96017 1/20 0.56
PRKCG P05129 1/20 0.56

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
SCHEMBL2278651 0.88 CDK2 (0.73) CDK2CDK4CDK1AURKBKDR
SCHEMBL2281302 0.87 CDK2 (0.67) CDK2CDK4CDK1MAPK1CDK5
SCHEMBL2284073 0.86 CDK2 (0.63) CDK2CDK4CDK1AURKAAURKB
SCHEMBL2283459 0.85 CDK2 (0.55) CDK2CDK4CDK1AURKAAURKB
SCHEMBL2290511 0.85 CDK2 (0.55) CDK2CDK4CDK1AURKAAURKB
SCHEMBL2286476 0.85 CDK2 (0.74) CDK2CDK4CDK1AURKAAURKB
SCHEMBL2289132 0.84 CDK2 (0.51) CDK2CDK4CDK1AURKAAURKB
SCHEMBL2284504 0.84 CDK2 (0.72) CDK2CDK4CDK1AURKAAURKB
SCHEMBL2283611 0.84 CDK2 (0.55) CDK2CDK4CDK1AURKAAURKB
SCHEMBL4803155 0.84 CDK2 (0.71) CDK2CDK4CDK1AURKAAURKB

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 776/4885CDK1 793/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885CDK1 857/4885

“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.