SCHEMBL1145445

SCHEMBL1145445

CC(C)Oc1nc(N)cc(N)c1C#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 17/20 0.60
MAPK9 P45984 12/20 0.60
MAPK10 P53779 3/20 0.46
RPS6KA3 P51812 2/20 0.44
KIT P10721 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AKT1 P31749 1/20 0.44
GSK3B P49841 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKD3 O94806 5/20 0.42
PRKD2 Q9BZL6 2/20 0.42
MAPK1 P28482 1/20 0.42
MAP4K4 O95819 2/20 0.38
MAP4K2 Q12851 2/20 0.38
PKN2 Q16513 2/20 0.38
STK17A Q9UEE5 1/20 0.38
RPS27 P42677 1/20 0.37
LMNA P02545 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1146078 0.83 MAPK8 (0.45) MAPK8MAPK9MAPK10RPS6KA3KIT
SCHEMBL1145692 0.81 MAPK8 (0.57) MAPK8MAPK9MAPK10GSK3BPRKD3
SCHEMBL13514540 0.78 MAPK8 (0.52) MAPK8MAPK9MAPK10RPS6KA3KIT
SCHEMBL1145009 0.77 MAPK8 (0.60) MAPK8MAPK9MAPK10AKT1PRKD3
SCHEMBL1145085 0.76 MAPK8 (1.00) MAPK8MAPK9MAPK10RPS6KA3GSK3B
SCHEMBL13514152 0.73 MAPK8 (0.59) MAPK8MAPK9MAPK10RPS6KA3KIT
SCHEMBL13514583 0.73 MAPK8 (0.50) MAPK8MAPK9MAPK10RPS6KA3KIT
SCHEMBL1145819 0.73 MAPK8 (0.48) MAPK8MAPK9MAPK10AKT1PRKD3
SCHEMBL1145762 0.73 MAPK8 (0.63) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL1145904 0.72 MAPK8 (0.74) MAPK8MAPK9MAPK10RPS6KA3PRKD3

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 4 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-2010007756-A1 PYRIDINE DERIVATIVE HAVING TTK INHIBITION ACTIVITY 塩野義製薬株式会社 (JP) 2010-01-21 WO 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.