SCHEMBL971612

SCHEMBL971612

CC(C)(C)OC(=O)N1CCC(Oc2ccc3n[c]sc3n2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.48
PIK3CD O00329 10/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
USP30 Q70CQ3 1/20 0.43
CHEK2 O96017 2/20 0.41

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
SCHEMBL970394 1.00 GPR119 (0.48) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL973169 0.95 GPR119 (0.53) GPR119CHEK2
SCHEMBL971907 0.92 GPR119 (0.43) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9987641 0.83 GPR119 (0.41) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9987655 0.83 GPR119 (0.41) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9072341 0.82 GPR119 (0.46) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9072338 0.82 GPR119 (0.46) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5462079 0.78 HCRTR2 (0.52) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9987440 0.78 GPR119 (0.45) GPR119PIK3CD
SCHEMBL29686200 0.78 PIK3CD (0.52) GPR119PIK3CDPIK3CAPIK3CBPIK3CG

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 GPR119 39/4885PIK3CD 1073/4885PIK3CA 760/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 GPR119 33/4885PIK3CD 1352/4885PIK3CA 857/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GPR119 39/4885PIK3CD 1073/4885PIK3CA 760/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK GPR119 35/4885PIK3CD 1233/4885PIK3CA 1055/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 GPR119 1/4885PIK3CD 1158/4885PIK3CA 1494/4885

“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.