SCHEMBL8206613

SCHEMBL8206613

CS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(=O)NC3CCN(C(N)=O)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PRKAA2 P54646 2/20 0.48
MAPK8 P45983 16/20 0.47
MAPK9 P45984 15/20 0.47
MAPK10 P53779 11/20 0.47
PRKD3 O94806 1/20 0.42
MAPK1 P28482 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8206099 0.89 CTDSP1 (0.47) CA1CA2PRKAA2MAPK8MAPK9
SCHEMBL8206615 0.89 PRKAA2 (0.46) CA1CA2PRKAA2MAPK8MAPK9
SCHEMBL8205785 0.88 PRKAA2 (0.49) CA1CA2PRKAA2MAPK8MAPK9
SCHEMBL12853206 0.88 MAPT (0.54) PRKAA2MAPK8MAPK9MAPK10MAPK1
SCHEMBL12853219 0.87 PRKAA2 (0.48) CA1CA2PRKAA2MAPK8MAPK9
SCHEMBL12853456 0.86 GPR119 (0.51)
SCHEMBL8212238 0.84 F10 (0.49) CA1CA2PRKAA2MAPK8MAPK9
SCHEMBL8209183 0.84 CA1 (0.51) CA1CA2PRKAA2MAPK8MAPK9
SCHEMBL8205747 0.83 MAPT (0.49) CA1CA2PRKAA2MAPK8MAPK9
SCHEMBL8211223 0.83 GPR119 (0.50) CA1CA2PRKAA2MAPK8MAPK9

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 CA1 3679/4885CA2 4577/4885PRKAA2 1337/4885

“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.