SCHEMBL4508342

SCHEMBL4508342

Cc1nc(N)ccc1-c1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
BACE1 P56817 1/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
GRM2 Q14416 1/20 0.41
PDE2A O00408 3/20 0.40
PDE10A Q9Y233 3/20 0.40
PDE7A Q13946 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE6H Q13956 1/20 0.39
KLKB1 P03952 1/20 0.37
PTPN11 Q06124 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL4488580 0.83 NOS3 (0.48) BACE1NOS3NOS1NOS2PDE2A
SCHEMBL21223469 0.83 SCN10A (0.46) HSD11B1BACE1GRM2NISCHSCN10A
SCHEMBL4496629 0.81 NOS3 (0.52) BACE1NOS3NOS1NOS2PDE2A
SCHEMBL29496094 0.81 BACE1 (0.41) HSD11B1BACE1GRM2NISCHSCN10A
SCHEMBL15698724 0.80 ESR1 (0.53) NOS3NOS1NOS2
SCHEMBL17178231 0.78 HSP90AA1 (0.55) NOS3NOS1NOS2SCN10AHSP90AA1
SCHEMBL4501032 0.77 BACE1 (0.49) HSD11B1BACE1NOS3NOS1NOS2
SCHEMBL27870379 0.76 MAPK1 (0.47) BACE1NOS3NOS1NOS2NPC1
SCHEMBL4499287 0.75 NOS3 (0.47) BACE1NOS3NOS1NOS2PDE10A
SCHEMBL4514480 0.75 HTR2B (0.50) HSD11B1NOS3NOS1NOS2PDE2A

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 HSD11B1 25/4885BACE1 600/4885NOS3 2518/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 HSD11B1 25/4885BACE1 600/4885NOS3 2518/4885

“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.