SCHEMBL4514480

SCHEMBL4514480

Cc1nc(N)ccc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.50
PDE4D Q08499 1/20 0.50
SCN10A Q9Y5Y9 2/20 0.47
HSP90AA1 P07900 3/20 0.44
HSP90AB1 P08238 3/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
PDE2A O00408 4/20 0.40
PDE10A Q9Y233 3/20 0.40
AGPAT2 O15120 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTPN1 P18031 1/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 1/20 0.37
CYP3A4 P08684 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
SCHEMBL4505338 0.86 NOS3 (0.52) HTR2BPDE4DHSP90AA1HSP90AB1NOS3
SCHEMBL263262 0.82 SCN10A (0.56) HTR2BPDE4DSCN10AHSP90AA1HSP90AB1
SCHEMBL4501032 0.79 BACE1 (0.49) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL4497002 0.77 BACE1 (0.47) NOS3NOS1NOS2PDE10ATP53
SCHEMBL558598 0.75
SCHEMBL15698724 0.75 ESR1 (0.53) NOS3NOS1NOS2
SCHEMBL4508342 0.75 HSD11B1 (0.44) SCN10AHSP90AA1HSP90AB1NOS3NOS1
SCHEMBL21223583 0.72 AGPAT2 (0.46) HTR2BPDE4DSCN10AHSP90AA1HSP90AB1
SCHEMBL4504455 0.72 NUDT1 (0.47) SCN10ANOS3NOS1NOS2PDE2A
SCHEMBL17178231 0.72 HSP90AA1 (0.55) SCN10AHSP90AA1HSP90AB1NOS3NOS1

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 HTR2B 1254/4885PDE4D 301/4885SCN10A 574/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 HTR2B 1254/4885PDE4D 301/4885SCN10A 574/4885

“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.