SCHEMBL2286267

SCHEMBL2286267

COc1cc(Nc2nccc(-c3sc(NC(C)=O)nc3C3CC3)n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.57
CDK9 P50750 7/20 0.57
CDK1 P06493 7/20 0.57
CDK7 P50613 6/20 0.57
AURKA O14965 4/20 0.57
AURKB Q96GD4 4/20 0.57
CDK4 P11802 2/20 0.57
CCNT1 O60563 4/20 0.51
CCNA2 P20248 4/20 0.51
CCNB1 P14635 3/20 0.51
CCNH P51946 3/20 0.51
CCNA1 P78396 3/20 0.51
ZAP70 P43403 5/20 0.49
LCK P06239 3/20 0.49
PRKD3 O94806 2/20 0.49
PRKCG P05129 2/20 0.49
PRKCB P05771 2/20 0.49
PRKCA P17252 2/20 0.49
PRKCH P24723 2/20 0.49
PRKCI P41743 2/20 0.49

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
SCHEMBL2289040 0.90 CDK2 (0.54) CDK2CDK9CDK1CDK7AURKA
SCHEMBL2283248 0.86 CDK2 (0.76) CDK2CDK9CDK1CDK7AURKA
SCHEMBL2285679 0.85 CDK2 (0.58) CDK2CDK9CDK1CDK7AURKA
SCHEMBL2287133 0.84 MKNK2 (0.51) CDK2CDK9CDK1CDK7CCNT1
SCHEMBL2290750 0.84 CDK2 (0.74) CDK2CDK9CDK1CDK7AURKA
SCHEMBL2288186 0.84 CDK2 (0.59) CDK2CDK9CDK1CDK7AURKA
SCHEMBL2283663 0.83 CDK2 (0.61) CDK2CDK9CDK1CDK7AURKA
SCHEMBL2281574 0.83 CDK2 (0.60) CDK2CDK9CDK1CDK7AURKA
SCHEMBL2289021 0.82 CDK2 (0.60) CDK2CDK9CDK1CDK7AURKB
SCHEMBL2281255 0.82 CDK2 (0.54) CDK2CDK9CDK1CDK7AURKA

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 3 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
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 CN 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 2065/4885CDK9 3151/4885CDK1 793/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK9 3311/4885CDK1 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.