SCHEMBL3544141

SCHEMBL3544141

CC(C)(C)c1nc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2ccc(F)c(Cl)c2Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.51
RAF1 P04049 1/20 0.37
PARP1 P09874 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
CNR2 P34972 1/20 0.33
CXCR2 P25025 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL3545971 0.88 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3546978 0.83 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3543213 0.79 MAPK14 (0.48) MAPK14RAF1PARP1CXCR2TRPV1
SCHEMBL3544542 0.78 MAPK14 (0.49) MAPK14RAF1PARP1CXCR2TRPV1
SCHEMBL3539568 0.75 MAPK14 (0.45) MAPK14RAF1PARP1CNR2CXCR2
SCHEMBL3540988 0.74 MAPK14 (0.45) MAPK14RAF1PARP1CNR2CXCR2
SCHEMBL3549551 0.74 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL13315290 0.73 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3551054 0.73 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3549541 0.73 MAPK14 (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 47/4885RAF1 55/4885PARP1 2946/4885

“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.