SCHEMBL1145401

SCHEMBL1145401

COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OC(C)C)n2)c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.79
MAPK9 P45984 17/20 0.79
MAPK10 P53779 12/20 0.79
MAPK1 P28482 3/20 0.79
PRKD2 Q9BZL6 2/20 0.79
RPS6KB1 P23443 2/20 0.79
CDK2 P24941 1/20 0.79
RPS6KB2 Q9UBS0 1/20 0.79
RPS6KA3 P51812 2/20 0.71
PRKD3 O94806 2/20 0.71
KIT P10721 1/20 0.69
AKT1 P31749 1/20 0.69
GSK3B P49841 1/20 0.69
PRKAA1 Q13131 1/20 0.69
DYRK3 O43781 1/20 0.56

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 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD2
SCHEMBL29405886 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD2
SCHEMBL1145432 0.86 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD2
SCHEMBL1144546 0.86 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD2
SCHEMBL5803514 0.85 MAPK8 (0.69) MAPK8MAPK9MAPK10MAPK1PRKD2
SCHEMBL1145036 0.83 MAPK8 (0.76) MAPK8MAPK9MAPK10MAPK1PRKD2
SCHEMBL1145467 0.83 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD2
SCHEMBL1145118 0.82 RPS6KB1 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD2
SCHEMBL1145361 0.82 MAPK8 (0.74) MAPK8MAPK9MAPK10MAPK1PRKD2
SCHEMBL1145327 0.81 MAPK8 (0.86) MAPK8MAPK9MAPK10MAPK1PRKD2

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-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US claimed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US claimed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO 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.