SCHEMBL4502245

SCHEMBL4502245

CCOc1cc2c(cc1C(=O)N1C[C@H](C)N(Cc3cccc(Cl)c3)C[C@H]1C)c(C(=O)C(=O)N(C)C)cn2N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.53
MAPK11 Q15759 2/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
NQO2 P16083 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
ACTR2 P61160 1/20 0.53
CCR1 P32246 6/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4500128 0.88 MAPK14 (0.40) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4500833 0.84 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4515270 0.81 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4488337 0.81 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14515795 0.81 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4494591 0.81 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL13954973 0.79 MAPK14 (0.40) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4497848 0.79 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4512542 0.78 MAPK14 (0.83) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14539720 0.78 JAK2 (0.34) MAPK14MAPK11MAPK13MAPK12NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 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-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 MAPK14 28/4885MAPK11 48/4885MAPK13 38/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 MAPK14 38/4885MAPK11 52/4885MAPK13 41/4885

“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.