Sugi Predict

Sugi Predict / Compounds / SCHEMBL958871

SCHEMBL958871

SCHEMBL958871

CC(C)CC(C(=O)Nc1ccn(C)n1)n1ccc(Oc2cccc3ccccc23)cc1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 8/20 0.44
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ SRC P12931 2/20 0.34
▸ SYK P43405 2/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33

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 0.89 NOTUM (0.48) GCKNOTUMALDH1A1NPC1RAB9A
SCHEMBL958752 0.89 GCK (0.46) GCKCARM1PRMT6NOTUMSRC
SCHEMBL958722 0.88 GCK (0.45) GCKCARM1PRMT6NOTUM
SCHEMBL956574 0.87 GCK (0.48) GCKNOTUMALDH1A1NPC1RAB9A
SCHEMBL956376 0.86 GCK (0.44) GCKNOTUMNPC1RAB9A
SCHEMBL959088 0.86 GCK (0.46) GCKNOTUMALDH1A1MMP1MMP3
SCHEMBL958784 0.86 GCK (0.43) GCKNOTUM
SCHEMBL960166 0.86 GCK (0.43) GCKNOTUM
SCHEMBL957091 0.84 GCK (0.44) GCKNPC1RAB9A
SCHEMBL955417 0.84 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 12 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
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 — — 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 1/4885CARM1 4132/4885PRMT6 1508/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GCK 1/4885CARM1 4132/4885PRMT6 1508/4885

“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.