SCHEMBL2289081

SCHEMBL2289081

COc1cc(Nc2nccc(-c3sc(NC4CC4)nc3C)n2)cc(OC)c1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.76
CDK4 P11802 12/20 0.76
CDK9 P50750 10/20 0.76
CDK7 P50613 8/20 0.76
CDK1 P06493 6/20 0.76
AURKA O14965 3/20 0.76
AURKB Q96GD4 3/20 0.76
CCND1 P24385 8/20 0.57
MKNK1 Q9BUB5 3/20 0.55
MKNK2 Q9HBH9 3/20 0.55
FLT3 P36888 2/20 0.55
JAK2 O60674 1/20 0.52
EGFR P00533 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
PTK2B Q14289 1/20 0.52
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51

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
SCHEMBL4156619 0.87 CDK2 (1.00) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4154625 0.84 CDK2 (1.00) CDK2CDK4CDK9CDK7CDK1
SCHEMBL2288538 0.83 CDK4 (0.59) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4159950 0.83 CDK2 (1.00) CDK2CDK4CDK9CDK7CDK1
SCHEMBL2283248 0.82 CDK2 (0.76) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4159675 0.81 CDK2 (0.80) CDK2CDK4CDK9CDK7CDK1
SCHEMBL2284504 0.80 CDK2 (0.72) CDK2CDK4CDK9CDK7CDK1
SCHEMBL2283314 0.79 CDK2 (0.76) CDK2CDK4CDK9CDK7CDK1
SCHEMBL2282084 0.79 CDK4 (0.58) CDK2CDK4CDK9CDK7CDK1
SCHEMBL2283633 0.79 CDK2 (0.70) CDK2CDK4CDK9CDK7CDK1

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 776/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885CDK9 3311/4885

“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.