SCHEMBL1145904

SCHEMBL1145904

CC(C)Oc1nc(NC(=O)CBr)cc(N)c1C#N

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.74
MAPK9 P45984 15/20 0.74
PRKD3 O94806 5/20 0.60
MAPK10 P53779 4/20 0.60
PRKD2 Q9BZL6 2/20 0.60
MAPK1 P28482 1/20 0.60
RPS6KA3 P51812 1/20 0.60
MAP4K4 O95819 2/20 0.55
MAP4K2 Q12851 2/20 0.55
PKN2 Q16513 2/20 0.55
STK17A Q9UEE5 1/20 0.55
MAP4K5 Q9Y4K4 1/20 0.53
RPS27 P42677 1/20 0.53

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
SCHEMBL1145085 0.85 MAPK8 (1.00) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL1145917 0.85 MAPK8 (0.78) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL1145023 0.78 MAPK8 (0.68) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL5803514 0.78 MAPK8 (0.69) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL1145401 0.78 MAPK8 (0.79) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL5805994 0.78 MAPK8 (0.59) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL1145467 0.76 MAPK8 (1.00) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL1145455 0.76 MAPK8 (1.00) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL1145345 0.75 MAPK8 (0.80) MAPK8MAPK9PRKD3MAPK10PRKD2
SCHEMBL1145578 0.74 MAPK8 (0.77) MAPK8MAPK9PRKD3MAPK10PRKD2

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 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 49/4885PRKD3 70/4885

“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.