SCHEMBL958752

SCHEMBL958752

COc1ccccc1Oc1ccn(C(CC(C)C)C(=O)Nc2ccn(C)n2)c(=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.46
NOTUM Q6P988 1/20 0.40
KMT2A Q03164 1/20 0.39
F11 P03951 3/20 0.36
KLKB1 P03952 2/20 0.36
BRD4 O60885 1/20 0.36
SRC P12931 1/20 0.35
SYK P43405 1/20 0.35
GSK3A P49840 1/20 0.35
MAPK14 Q16539 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35

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
SCHEMBL955972 0.91 NOTUM (0.48) GCKNOTUM
SCHEMBL958722 0.90 GCK (0.45) GCKNOTUMCARM1PRMT6
SCHEMBL955909 0.90 GCK (0.45) GCKNOTUM
SCHEMBL955304 0.90 GCK (0.45) GCKNOTUMKMT2A
SCHEMBL960166 0.90 GCK (0.43) GCKNOTUMF11
SCHEMBL956574 0.89 GCK (0.48) GCKNOTUM
SCHEMBL958871 0.89 GCK (0.44) GCKNOTUMSRCSYKGSK3A
SCHEMBL959088 0.89 GCK (0.46) GCKNOTUMBRD4
SCHEMBL958784 0.88 GCK (0.43) GCKNOTUM
SCHEMBL956376 0.87 GCK (0.44) GCKNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP claimed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US claimed
WO-2011009845-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 WO claimed
EP-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
WO-2011009845-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 WO disclosed
WO-2011009845-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GCK 1/4885NOTUM 2438/4885KMT2A 3422/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GCK 1/4885NOTUM 2438/4885KMT2A 3422/4885

“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.