SCHEMBL4496859

SCHEMBL4496859

Nc1ccc(-c2cc(Cl)ccc2Cl)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.57
CYP1A2 P05177 1/20 0.57
KCNH2 Q12809 1/20 0.57
MINK1 Q8N4C8 1/20 0.57
TNIK Q9UKE5 1/20 0.57
PIK3CD O00329 3/20 0.52
LTA4H P09960 1/20 0.51
CNR2 P34972 1/20 0.51
HTR2B P41595 1/20 0.47
PDE4D Q08499 1/20 0.47
INPPL1 O15357 1/20 0.47
USP7 Q93009 1/20 0.44
EPHX2 P34913 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 2/20 0.41
FEN1 P39748 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4498898 0.86 MAP4K4 (0.57) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL13838412 0.84 PIK3CD (0.50) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4495649 0.83 MAP4K4 (0.54) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL8238854 0.83 NOS3 (0.50) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL17805346 0.82 PIK3CD (0.52) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL15916293 0.79 FEN1 (0.60) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL2814348 0.79 NPBWR1 (0.53) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL14244506 0.79 ABL1 (0.52) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL17027759 0.79 AGPAT2 (0.53) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL13838566 0.79 ABL1 (0.43) MAP4K4CYP1A2KCNH2MINK1TNIK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211913-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-07-03 US disclosed
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES AMREIN KURT 2009-06-11 US disclosed
US-7528159-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
EP-1789041-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-05-30 EP disclosed
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. 2006-02-02 US disclosed
WO-2006010546-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2006-02-02 WO 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 (2 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-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES GPR119, CYP4B1, SLC5A1 MAP4K4 859/4885CYP1A2 328/4885KCNH2 1716/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 MAP4K4 859/4885CYP1A2 328/4885KCNH2 1716/4885

“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.