SCHEMBL3549050

SCHEMBL3549050

CC(C)(C)c1cc(CN2CCOCC2)c(NC(=O)Nc2cccc3ccccc23)s1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.79
MAPK13 O15264 2/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 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
SCHEMBL3553435 0.91 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3549470 0.88 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3548932 0.82 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6162128 0.76 RAF1 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3540204 0.75 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3549445 0.75 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL3548734 0.74 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3552867 0.72 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3541911 0.72 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3542606 0.72 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US claimed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO claimed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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 (1 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 MAPK14 47/4885MAPK13 52/4885MAPK12 46/4885

“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.