SCHEMBL4496629

SCHEMBL4496629

Cc1ccc(F)cc1-c1ccc(N)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
ABL1 P00519 2/20 0.49
BACE1 P56817 3/20 0.44
AGPAT2 O15120 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
PDE2A O00408 6/20 0.40
PDE10A Q9Y233 6/20 0.40
EPHA4 P54764 1/20 0.39
MTOR P42345 1/20 0.38
SLC9A1 P19634 1/20 0.37
NPC1 O15118 1/20 0.37
CTSD P07339 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL4488580 0.88 NOS3 (0.48) NOS3NOS1NOS2ABL1BACE1
SCHEMBL4508342 0.81 HSD11B1 (0.44) NOS3NOS1NOS2ABL1BACE1
SCHEMBL4505338 0.79 NOS3 (0.52) NOS3NOS1NOS2AGPAT2
SCHEMBL9139591 0.77 NISCH (0.52) ABL1AGPAT2NISCHPDE2APDE10A
SCHEMBL30377758 0.77 NISCH (0.52) ABL1AGPAT2NISCHPDE2APDE10A
SCHEMBL4499287 0.77 NOS3 (0.47) NOS3NOS1NOS2ABL1BACE1
SCHEMBL29464929 0.76 ABL1 (0.46) NOS3NOS1NOS2ABL1BACE1
SCHEMBL19925120 0.76 ABL1 (0.46) NOS3NOS1NOS2ABL1BACE1
SCHEMBL10094669 0.75 ABL1 (0.48) NOS3NOS1NOS2ABL1BACE1
SCHEMBL4504821 0.75 MTOR (0.57) NOS3NOS1NOS2BACE1MTOR

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 NOS3 2518/4885NOS1 1338/4885NOS2 2698/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 NOS3 2518/4885NOS1 1338/4885NOS2 2698/4885

“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.