SCHEMBL1145866

SCHEMBL1145866

CCOc1nc(C(=O)O)ccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.56
MAPK9 P45984 5/20 0.56
MAPK10 P53779 3/20 0.56
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
XDH P47989 6/20 0.44
RPS27 P42677 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CSF1R P07333 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
CSNK2A1 P68400 1/20 0.40
NTRK2 Q16620 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
PLK3 Q9H4B4 1/20 0.40

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
SCHEMBL1146382 0.85 MAPK8 (0.57) MAPK8MAPK9MAPK10GAAL3MBTL1
SCHEMBL4196059 0.83 KDM4E (0.49) MAPK8MAPK9MAPK10GAAL3MBTL1
SCHEMBL1146103 0.79 XDH (0.54) XDH
SCHEMBL6172803 0.78 L3MBTL1 (0.49) GAAL3MBTL1KDM4EMAPTTDP1
SCHEMBL1145995 0.78 GAA (0.54) MAPK8MAPK9MAPK10GAAL3MBTL1
SCHEMBL10371014 0.76 L3MBTL1 (0.55) MAPK8MAPK9MAPK10GAAL3MBTL1
SCHEMBL2230830 0.74 L3MBTL1 (0.61) MAPK8MAPK9MAPK10GAAL3MBTL1
SCHEMBL10367588 0.74 FDPS (0.39) MAPK8MAPK9MAPK10GAAL3MBTL1
SCHEMBL12870164 0.74 KDM4E (0.51) L3MBTL1KDM4EMAPTTDP1XDH
SCHEMBL25049213 0.73 FDPS (0.43) MAPK10GAAL3MBTL1KDM4EMAPT

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 8 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-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
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
EP-0186049-B1 N-SUBSTITUTED AZIRIDINE-2-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AS WELL AS MEDICAMENTS CONTAINING THESE SUBSTANCES Roche Diagnostics GmbH (DE) 1990-07-04 EP disclosed
US-4826858-A IMMUNO-STIMULATING AND IMMUNO-MODULATING ACTIVATIES BOEHRINGER MANNHEIM GMBH (DE) 1989-05-02 US disclosed
EP-0186049-A1 N-substituted aziridine-2-carboxylic acid derivatives, process for their preparation as well as medicaments containing these substances Roche Diagnostics GmbH (DE) 1986-07-02 EP 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.