SCHEMBL4500005

SCHEMBL4500005

COc1ccc(-c2ccc(N)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
DYRK1A Q13627 3/20 0.58
PIK3CD O00329 1/20 0.52
APP P05067 2/20 0.52
MAPT P10636 2/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
FYN P06241 2/20 0.49
KMT2A Q03164 1/20 0.49
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
MAP4K4 O95819 2/20 0.47
CLK4 Q9HAZ1 1/20 0.47
ESR2 Q92731 1/20 0.47
CHEK2 O96017 1/20 0.47

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
SCHEMBL333949 0.83
SCHEMBL29715865 0.83
SCHEMBL30337416 0.82 PIK3CD (0.70) LTA4HDYRK1APIK3CDMAPTMKNK1
SCHEMBL634325 0.82 CDC25A (0.59) DYRK1AMAPTFYNKMT2APDGFRB
SCHEMBL12486978 0.80 MAP4K4 (0.62) DYRK1AFYNPDGFRBPDGFRAMAP4K4
SCHEMBL9936469 0.80 CYP11B1 (0.57) LTA4HPIK3CDMKNK1MKNK2MAP4K4
SCHEMBL9966497 0.80 MKNK1 (0.57) LTA4HPIK3CDMKNK1MKNK2FYN
SCHEMBL29740321 0.80 PIK3CD (0.73) LTA4HDYRK1APIK3CDMAPTMKNK1
SCHEMBL1257460 0.80 PIK3CD (0.73) LTA4HDYRK1APIK3CDMAPTMKNK1
SCHEMBL1422493 0.78 MKNK1 (0.59) DYRK1APIK3CDMKNK1MKNK2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901119-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-12-02 US disclosed
CN-103827665-A Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2014-05-28 CN disclosed
EP-2684039-A2 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-01-15 EP disclosed
US-20130345120-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
WO-2012122450-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed
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
WO-2011097300-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA, INC. (US) 2011-08-11 WO 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 (3 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 LTA4H 1907/4885DYRK1A 2912/4885PIK3CD 460/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 LTA4H 1907/4885DYRK1A 2912/4885PIK3CD 460/4885
US-20130345120-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, PEPD, VIP LTA4H 2364/4885DYRK1A 3228/4885PIK3CD 3436/4885

“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.