SCHEMBL6863683

SCHEMBL6863683

CCOC(=O)[C@H]1CC[C@H](Nc2nccc(-n3ncc4c(N5CCC(S(C)(=O)=O)CC5)cccc43)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 1.00
MAPK9 P45984 9/20 1.00
MAPK10 P53779 9/20 1.00

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
SCHEMBL1163195 1.00 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL6862451 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL1200506 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL1163009 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL1200959 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL6876597 0.85 MAPK8 (0.84) MAPK8MAPK9MAPK10
SCHEMBL14834311 0.82 MAPK8 (0.79) MAPK8MAPK9MAPK10
SCHEMBL15457491 0.82 MAPK8 (0.79) MAPK8MAPK9MAPK10
SCHEMBL14175975 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10
SCHEMBL14768122 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536172-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
US-8536172-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
WO-2011018417-A1 INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-02-17 WO disclosed
US-20110034470-A1 Inhibitors of JNK GONG LEYI 2011-02-10 US disclosed
US-20110034470-A1 Inhibitors of JNK GONG LEYI 2011-02-10 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 (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-20110034470-A1 Inhibitors of JNK MAPK1, MAP3K6, MAP3K3 MAPK8 32/4885MAPK9 25/4885MAPK10 36/4885

“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.