SCHEMBL2290877

SCHEMBL2290877

COc1ccc(OC)c(Nc2nccc(-c3sc(C(C)C)nc3C)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 13/20 0.66
MKNK1 Q9BUB5 4/20 0.66
FLT3 P36888 8/20 0.62
AURKA O14965 3/20 0.51
CDK1 P06493 3/20 0.51
CDK2 P24941 3/20 0.51
CDK7 P50613 3/20 0.51
CDK9 P50750 3/20 0.51
AURKB Q96GD4 3/20 0.51
CDK4 P11802 2/20 0.51
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 3/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL2288624 0.85 MEN1 (0.67) MKNK2MKNK1FLT3AURKACDK1
SCHEMBL2286993 0.84 MKNK2 (0.85) MKNK2MKNK1FLT3AURKACDK1
SCHEMBL2289365 0.84 MKNK2 (0.64) MKNK2MKNK1FLT3AURKACDK1
SCHEMBL2284183 0.83 MKNK2 (0.63) MKNK2MKNK1FLT3AURKACDK1
SCHEMBL2285515 0.81 CDK2 (0.55) MKNK2MKNK1FLT3AURKACDK1
SCHEMBL2281570 0.79 MKNK2 (0.55) MKNK2MKNK1FLT3AURKACDK1
SCHEMBL4158859 0.78 MKNK2 (0.61) MKNK2MKNK1FLT3AURKACDK1
SCHEMBL2287258 0.76 MKNK2 (0.55) MKNK2MKNK1FLT3AURKACDK1
SCHEMBL2286099 0.76 MKNK2 (0.52) MKNK2MKNK1FLT3AURKACDK1
SCHEMBL4170533 0.75 MKNK2 (0.64) MKNK2MKNK1FLT3AURKACDK1

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 MKNK2 4101/4885MKNK1 4404/4885FLT3 216/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 MKNK2 4185/4885MKNK1 4474/4885FLT3 211/4885

“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.