SCHEMBL1145566

SCHEMBL1145566

CCOc1nc(NC(=O)c2ccccc2)cc(N)c1C#N

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.74
MAPK9 P45984 16/20 0.74
RPS27 P42677 5/20 0.74
MAPK10 P53779 6/20 0.71
PRKD3 O94806 2/20 0.71
MAP4K4 O95819 1/20 0.71
MAP4K2 Q12851 1/20 0.71
PKN2 Q16513 1/20 0.71
PRKD2 Q9BZL6 1/20 0.71
STK17A Q9UEE5 1/20 0.71

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
SCHEMBL13514415 0.87 MAPK8 (0.77) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL13514348 0.86 MAPK8 (0.72) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL1145640 0.85 MAPK8 (1.00) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL1145395 0.83 MAPK8 (1.00) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL13514253 0.83 MAPK8 (0.72) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL1145454 0.83 MAPK8 (0.81) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL13514379 0.83 MAPK8 (0.79) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL1145345 0.82 MAPK8 (0.80) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL13514306 0.81 MAPK8 (0.78) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL1145062 0.81 MAPK8 (0.89) MAPK8MAPK9RPS27MAPK10PRKD3

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
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US claimed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO 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 49/4885RPS27 1490/4885

“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.