SCHEMBL971205

SCHEMBL971205

CC(C)(C)OC(=O)Nc1cn[c]cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
ATR Q13535 1/20 0.39
NAMPT P43490 2/20 0.37
CYP17A1 P05093 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPKAPK2 P49137 3/20 0.35
PSMB8 P28062 1/20 0.35
METAP1 P53582 1/20 0.34
MAP4K4 O95819 1/20 0.34
TRPA1 O75762 1/20 0.34
SCN9A Q15858 1/20 0.34
GRIN2B Q13224 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL972753 0.77 CCNT1 (0.38)
SCHEMBL4494048 0.76 GSK3B (0.42) GSK3BDYRK1AATRNAMPTCYP17A1
SCHEMBL30594003 0.75 RAB9A (0.54) NAMPT
SCHEMBL30832555 0.75 GSK3B (0.46) GSK3BDYRK1AATRNAMPTCYP17A1
SCHEMBL29008076 0.75 MAPKAPK2 (0.46) GSK3BDYRK1AATRNAMPTCYP17A1
SCHEMBL1475335 0.75 RAB9A (0.54) NAMPT
SCHEMBL1932040 0.75 GSK3B (0.46) GSK3BDYRK1AATRNAMPTCYP17A1
SCHEMBL22259406 0.74 GSK3B (0.43) GSK3BDYRK1AATRNAMPTCYP17A1
SCHEMBL29498375 0.74 GSK3B (0.43) GSK3BDYRK1AATRNAMPTCYP17A1
SCHEMBL4988646 0.74 NAMPT (0.49) ATRNAMPTCYP17A1CA1MAPKAPK2

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
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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 (5 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 GSK3B 1884/4885DYRK1A 1056/4885ATR 4005/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 GSK3B 2528/4885DYRK1A 1278/4885ATR 4060/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GSK3B 1884/4885DYRK1A 1056/4885ATR 4005/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK GSK3B 1999/4885DYRK1A 985/4885ATR 4284/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 GSK3B 2138/4885DYRK1A 4339/4885ATR 4427/4885

“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.