SCHEMBL1145995

SCHEMBL1145995

CCOc1nc(O)ccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPK8 P45983 5/20 0.45
MAPK9 P45984 4/20 0.45
MAPK10 P53779 3/20 0.45
SQOR Q9Y6N5 1/20 0.39
XDH P47989 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
MAP4K2 Q12851 1/20 0.36
PKN2 Q16513 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36

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
SCHEMBL10371014 0.81 L3MBTL1 (0.55) GAAL3MBTL1KDM4EMAPTTDP1
SCHEMBL1937421 0.80 KDM4E (0.54) GAAL3MBTL1KDM4EMAPTSQOR
SCHEMBL2230830 0.79 L3MBTL1 (0.61) GAAL3MBTL1KDM4EMAPTTDP1
SCHEMBL1145866 0.78 MAPK8 (0.56) GAAL3MBTL1KDM4EMAPTTDP1
SCHEMBL1901810 0.77 L3MBTL1 (0.51) GAAL3MBTL1KDM4EMAPTTDP1
SCHEMBL2528769 0.76 GAA (0.50) GAAL3MBTL1KDM4EMAPTTDP1
SCHEMBL1146382 0.75 MAPK8 (0.57) GAAL3MBTL1KDM4EMAPTTDP1
SCHEMBL249966 0.71 L3MBTL1 (0.49) GAAL3MBTL1KDM4EMAPTTDP1
SCHEMBL16454354 0.70 GAA (0.44) GAAL3MBTL1KDM4EMAPTTDP1
SCHEMBL4549701 0.70 AR (0.39) GAAKDM4EALDH1A1TSHR

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 5 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

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 GAA 3359/4885L3MBTL1 1511/4885KDM4E 2987/4885

“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.