SCHEMBL972865

SCHEMBL972865

CN(CCOc1ccc2n[c]sc2n1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
PDK2 Q15119 1/20 0.38
AAK1 Q2M2I8 1/20 0.33
PAX8 Q06710 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLS O94925 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ATM Q13315 1/20 0.30
RBP4 P02753 1/20 0.30

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
SCHEMBL974269 0.95 GBA1 (0.38) GBA1PDK2AAK1PAX8GLS
SCHEMBL2666843 0.80 PDK2 (0.38) GBA1PDK2AAK1PAX8
SCHEMBL968935 0.80 HTR7 (0.46) KDM4EALDH1A1ATM
SCHEMBL973646 0.79 CA12 (0.43) PDK2KDM4E
SCHEMBL973567 0.78 PDK2 (0.48) GBA1PDK2KDM4EALDH1A1KAT6A
SCHEMBL974267 0.77 LTA4H (0.33)
SCHEMBL21864805 0.76 PDK2 (0.41) GBA1PDK2PAX8KAT6AKAT5
SCHEMBL9072344 0.75 GBA1 (0.36) GBA1PDK2AAK1PAX8KDM4E
SCHEMBL29606627 0.75 PDK2 (0.38) GBA1PDK2AAK1ALDH1A1KAT6A
SCHEMBL28890112 0.74 PDK2 (0.43) GBA1PDK2KDM4EALDH1A1GLS

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 9 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
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

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 GBA1 225/4885PDK2 6/4885AAK1 255/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 GBA1 283/4885PDK2 3/4885AAK1 247/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GBA1 225/4885PDK2 6/4885AAK1 255/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK GBA1 149/4885PDK2 5/4885AAK1 291/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 GBA1 602/4885PDK2 75/4885AAK1 3940/4885

“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.