SCHEMBL4495649

SCHEMBL4495649

Cc1ccc(Cl)cc1-c1ccc(N)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.54
CYP1A2 P05177 1/20 0.54
KCNH2 Q12809 1/20 0.54
MINK1 Q8N4C8 1/20 0.54
TNIK Q9UKE5 1/20 0.54
LTA4H P09960 1/20 0.49
PIK3CD O00329 3/20 0.49
ABL1 P00519 3/20 0.48
VEGFA P15692 1/20 0.46
FLT1 P17948 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
CYP3A4 P08684 1/20 0.44
IDO1 P14902 1/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
JAK2 O60674 4/20 0.42
INPPL1 O15357 1/20 0.42
AGPAT2 O15120 1/20 0.41
NOS3 P29474 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
SCHEMBL4496859 0.83 MAP4K4 (0.57) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4504756 0.81 ABL1 (0.68) ABL1
SCHEMBL15401974 0.80 ABL1 (0.71) MAP4K4ABL1
SCHEMBL17027759 0.80 AGPAT2 (0.53) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL4498898 0.79 MAP4K4 (0.57) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL17805365 0.79 NOS3 (0.47) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL16681203 0.79 NOS3 (0.52) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL17805340 0.78 PIK3CD (0.50) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL15916293 0.77 FEN1 (0.60) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL12349143 0.76 PIK3CD (0.56) 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.