SCHEMBL4872279

SCHEMBL4872279

COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1C[C@H](C)N(C(c2ccccc2)c2ccccc2)C[C@H]1C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.56
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4840116 0.90 MAPK14 (0.44) MAPK14OPRM1OPRD1CYP2D6CYP2C9
SCHEMBL4881027 0.88 MAPK14 (0.42) MAPK14OPRM1OPRD1CYP2D6CYP2C9
SCHEMBL4830537 0.86 MAPK14 (0.42) MAPK14OPRD1CYP2D6
SCHEMBL14109846 0.81 MAPK14 (0.47) MAPK14OPRM1OPRD1
SCHEMBL4509676 0.80 MAPK14 (0.71) MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL4877440 0.79 MAPK14 (0.66) MAPK14
SCHEMBL14337927 0.77 MAPK14 (0.49) MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL14185143 0.77 MAPK14 (0.49) MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL4830562 0.72 MAPK14 (0.57) MAPK14
SCHEMBL16573733 0.72 MAPK14 (1.00) MAPK14OPRM1OPRD1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 US disclosed
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 US disclosed
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 US disclosed
US-20040176598-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-09-09 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-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 MAPK14 21/4885OPRM1 2534/4885OPRD1 1644/4885
US-20040176598-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK4 MAPK14 11/4885OPRM1 2773/4885OPRD1 2403/4885

“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.