SCHEMBL8207563

SCHEMBL8207563

CC(C)NC(=O)c1cccc(C(=O)NCc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 17/20 0.56
MAPK9 P45984 16/20 0.56
MAPK10 P53779 13/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
PRKD3 O94806 1/20 0.48
MAPK1 P28482 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
EPHX2 P34913 2/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL8209134 0.96 MAPK8 (0.59) MAPK8MAPK9MAPK10CA1CA2
SCHEMBL8212037 0.91 MAPK8 (0.51) MAPK8MAPK9MAPK10CA1CA2
SCHEMBL12853363 0.91 MAPK8 (0.52) MAPK8MAPK9MAPK10CA1CA2
SCHEMBL8213930 0.89 MAPK8 (0.49) MAPK8MAPK9MAPK10CA1CA2
SCHEMBL12853349 0.89 MAPK8 (0.51) MAPK8MAPK9MAPK10CA1CA2
SCHEMBL8200906 0.87 HPGD (0.54) CA1CA2EPHX2NR1H4
SCHEMBL8209109 0.86 CA2 (0.74) MAPK8MAPK9MAPK10CA1CA2
SCHEMBL8207782 0.85 CA1 (0.49) MAPK8MAPK9MAPK10CA1CA2
SCHEMBL8213923 0.84 ALDH1A1 (0.49) MAPK8MAPK9MAPK10CA1CA2
SCHEMBL12853369 0.82 XDH (0.49) MAPK8MAPK9MAPK10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 MAPK8 13/4885MAPK9 11/4885MAPK10 6/4885

“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.