SCHEMBL973567

SCHEMBL973567

CN(CCOc1ccc2n[c]sc2c1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.48
F2 P00734 4/20 0.38
LMNA P02545 3/20 0.37
KAT6A Q92794 1/20 0.37
KAT5 Q92993 1/20 0.37
GBA1 P04062 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
PPARA Q07869 1/20 0.35
POLB P06746 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
AURKB Q96GD4 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
SCHEMBL970760 0.80 LTA4H (0.45) LMNACYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL2666852 0.80 CYP3A4 (0.53) PDK2LMNACYP1A2CYP2D6ALDH1A1
SCHEMBL972865 0.78 GBA1 (0.39) PDK2KAT6AKAT5GBA1KDM4E
SCHEMBL973566 0.77 CA1 (0.42) PDK2LMNAKDM4EALDH1A1PPARA
SCHEMBL21601449 0.75 PDK2 (0.56) PDK2F2KAT6AKAT5KDM4E
SCHEMBL29607674 0.75 PDK2 (0.52) PDK2F2KAT6AKAT5KDM4E
SCHEMBL1009027 0.74 PDK2 (0.58) PDK2F2KDM4EALDH1A1PPARA
SCHEMBL29607371 0.74 PDK2 (0.51) PDK2KAT6AKAT5KDM4EALDH1A1
SCHEMBL29607632 0.74 PDK2 (0.53) PDK2F2KAT6AKAT5GBA1
SCHEMBL16520539 0.74 PDK2 (0.55) PDK2F2KAT6AKAT5KDM4E

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 10 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
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP 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
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO 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
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US 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 PDK2 6/4885F2 1464/4885LMNA 3678/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 PDK2 3/4885F2 2146/4885LMNA 3936/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD PDK2 6/4885F2 1464/4885LMNA 3678/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK PDK2 5/4885F2 1942/4885LMNA 3588/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 PDK2 75/4885F2 927/4885LMNA 2712/4885

“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.