SCHEMBL2284046

SCHEMBL2284046

COc1cccc(Nc2nccc(-c3sc(N)nc3C3CC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.56
PIK3CA P42336 4/20 0.56
PIK3CB P42338 4/20 0.56
CDK2 P24941 8/20 0.56
CDK1 P06493 5/20 0.56
CCNT1 O60563 5/20 0.56
CCNA2 P20248 5/20 0.56
CDK9 P50750 5/20 0.56
CCNB1 P14635 4/20 0.56
CDK7 P50613 4/20 0.56
CCNH P51946 4/20 0.56
CCNA1 P78396 3/20 0.56
CDK5 Q00535 4/20 0.55
GSK3B P49841 3/20 0.55
AURKA O14965 2/20 0.55
AURKB Q96GD4 2/20 0.55
MAPK1 P28482 2/20 0.55
JAK2 O60674 2/20 0.55
DYRK1A Q13627 2/20 0.55
CDC7 O00311 1/20 0.55

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
SCHEMBL2282398 0.89 CDK2 (0.58) PIK3CGPIK3CAPIK3CBCDK2CDK1
SCHEMBL2281760 0.87 CDK2 (0.58) PIK3CGPIK3CAPIK3CBCDK2CDK1
SCHEMBL2283789 0.85 CDK2 (0.58) CDK2CDK1CCNT1CCNA2CDK9
SCHEMBL2285781 0.85 CDK2 (0.67) PIK3CGPIK3CAPIK3CBCDK2CDK1
SCHEMBL27741280 0.84 CDK2 (0.55) CDK2CDK1CCNT1CCNA2CDK9
SCHEMBL2283318 0.83 MKNK2 (0.52) CDK2CDK1CCNT1CCNA2CDK9
SCHEMBL2285679 0.83 CDK2 (0.58) PIK3CGPIK3CAPIK3CBCDK2CDK1
SCHEMBL2281574 0.83 CDK2 (0.60) PIK3CGPIK3CAPIK3CBCDK2CDK1
SCHEMBL2286766 0.83 CDK2 (0.55) PIK3CGPIK3CAPIK3CBCDK2CDK1
SCHEMBL2282373 0.81 CDK2 (0.53) PIK3CGPIK3CAPIK3CBCDK2CDK1

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 PIK3CG 4241/4885PIK3CA 3293/4885PIK3CB 4206/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 PIK3CG 4256/4885PIK3CA 3359/4885PIK3CB 4240/4885

“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.