SCHEMBL4881027

SCHEMBL4881027

COc1nc2[nH]cc(C(=O)C(=O)N3CCCC3)c2cc1C(=O)N1C[C@H](C)N(C(c2ccccc2)c2ccccc2)C[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.42
CYP2D6 P10635 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 4/20 0.41
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 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 0.88 MAPK14 (0.44) MAPK14CYP2D6CYP2C19CYP2C9OPRM1
SCHEMBL4872279 0.88 MAPK14 (0.56) MAPK14CYP2D6CYP2C19CYP2C9OPRM1
SCHEMBL4830537 0.86 MAPK14 (0.42) MAPK14CYP2D6OPRD1
SCHEMBL4494523 0.81 MAPK14 (0.54) MAPK14CYP2D6CYP2C19CYP2C9POLB
SCHEMBL4841808 0.79 MAPK14 (0.54) MAPK14
SCHEMBL14109846 0.79 MAPK14 (0.47) MAPK14OPRM1OPRD1
SCHEMBL4502922 0.75 MAPK14 (0.42) MAPK14OPRM1OPRD1
SCHEMBL4493311 0.73 MAPK14 (0.44) MAPK14OPRM1OPRD1
SCHEMBL4505028 0.72 MAPK14 (0.64) MAPK14OPRM1OPRD1
SCHEMBL4493179 0.72 MAPK14 (0.51) MAPK14CYP2D6CYP2C19CYP2C9CYP3A4

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 21/4885CYP2D6 3069/4885CYP2C19 3348/4885
US-20040176598-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK4 MAPK14 11/4885CYP2D6 2878/4885CYP2C19 3054/4885

“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.