SCHEMBL1145833

SCHEMBL1145833

CCOc1nc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(N)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.54
MAPK9 P45984 15/20 0.54
MAPK10 P53779 8/20 0.54
RPS27 P42677 2/20 0.54
CSF1R P07333 5/20 0.54
MAPK1 P28482 5/20 0.54
PRKD2 Q9BZL6 5/20 0.54
AKT1 P31749 3/20 0.54
CSNK2A1 P68400 1/20 0.54
NTRK2 Q16620 1/20 0.54
PLK3 Q9H4B4 1/20 0.54
ROCK2 O75116 3/20 0.51
CSNK1D P48730 3/20 0.51
DYRK3 O43781 2/20 0.51
PRKD3 O94806 2/20 0.51
RPS6KB1 P23443 2/20 0.51
JUN P05412 1/20 0.51
AURKA O14965 1/20 0.51
KIT P10721 1/20 0.49
BLK P51451 1/20 0.49

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
SCHEMBL12113069 0.95 MAPK8 (0.56) MAPK8MAPK9MAPK10RPS27CSF1R
SCHEMBL12113177 0.90 MAPK8 (0.52) MAPK8MAPK9MAPK10RPS27CSF1R
SCHEMBL1145423 0.86 MAPK8 (0.59) MAPK8MAPK9MAPK10RPS27CSF1R
SCHEMBL1314174 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10RPS27CSF1R
SCHEMBL1145397 0.85 MAPK8 (0.59) MAPK8MAPK9MAPK10RPS27CSF1R
SCHEMBL13514301 0.83 MAPK8 (0.70) MAPK8MAPK9MAPK10RPS27CSF1R
SCHEMBL1145420 0.83 MAPK8 (0.55) MAPK8MAPK9MAPK10RPS27CSF1R
SCHEMBL1145271 0.82 MAPK8 (0.59) MAPK8MAPK9MAPK10RPS27CSF1R
SCHEMBL1145233 0.82 MAPK8 (0.56) MAPK8MAPK9MAPK10RPS27CSF1R
SCHEMBL1145231 0.82 MAPK8 (0.56) MAPK8MAPK9MAPK10RPS27CSF1R

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 2 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
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.