SCHEMBL1145697

SCHEMBL1145697

CCOc1nc(NC(=O)Cc2cc([S+](C)[O-])ccc2OC)cc(N)c1C#N

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.77
MAPK9 P45984 17/20 0.77
MAPK10 P53779 11/20 0.77
MAPK1 P28482 2/20 0.77
RPS6KB1 P23443 1/20 0.77
CDK2 P24941 1/20 0.77
PRKD2 Q9BZL6 1/20 0.77
RPS6KB2 Q9UBS0 1/20 0.77
DYRK3 O43781 1/20 0.66
PRKD3 O94806 1/20 0.66
RPS27 P42677 1/20 0.61

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
SCHEMBL157014 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1RPS6KB1
SCHEMBL29405886 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1RPS6KB1
SCHEMBL1145150 0.85 MAPK8 (0.78) MAPK8MAPK9MAPK10MAPK1RPS6KB1
SCHEMBL12221577 0.85 MAPK8 (0.80) MAPK8MAPK9MAPK10MAPK1RPS6KB1
SCHEMBL1145221 0.85 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1RPS6KB1
SCHEMBL1145749 0.84 MAPK8 (0.79) MAPK8MAPK9MAPK10MAPK1RPS6KB1
SCHEMBL1145450 0.84 MAPK8 (0.84) MAPK8MAPK9MAPK10MAPK1RPS6KB1
SCHEMBL21067798 0.81 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1RPS6KB1
SCHEMBL1145327 0.81 MAPK8 (0.86) MAPK8MAPK9MAPK10MAPK1RPS6KB1
SCHEMBL1144996 0.81 MAPK8 (0.86) MAPK8MAPK9MAPK10MAPK1RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US claimed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 MAPK8 30/4885MAPK9 49/4885MAPK10 47/4885

“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.