SCHEMBL971097

SCHEMBL971097

COc1ccc(CSc2c[c]ncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.53
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
DAO P14920 1/20 0.44
TSHR P16473 4/20 0.43
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
IDO1 P14902 2/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
LMNA P02545 1/20 0.40
MMP13 P45452 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL8255854 0.79 APP (0.65) APPMAOBMAOANPC1RAB9A
SCHEMBL9480291 0.79 HSD17B10 (0.47) MAOBMAOANPC1RAB9ADAO
SCHEMBL3228582 0.76 APP (0.82) APPMAOBMAOANPC1RAB9A
SCHEMBL6664933 0.74 APP (0.54) APPMAOBMAOANPC1RAB9A
SCHEMBL31294163 0.73 APP (0.57) APPMAOBMAOANPC1RAB9A
SCHEMBL9480278 0.73 APP (0.53) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL971066 0.72 APP (0.42) APPMAOBMAOANPC1RAB9A
SCHEMBL11044221 0.72 APP (0.74) APPMAOBMAOANPC1RAB9A
SCHEMBL19059386 0.72 APP (0.74) APPMAOBMAOANPC1RAB9A
SCHEMBL2272164 0.72 APP (0.69) APPMAOBMAOANPC1RAB9A

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 15 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
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
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-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
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 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
WO-2009127544-A1 PYRIDAZINONE 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 APP 3763/4885MAOB 781/4885MAOA 998/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 APP 3830/4885MAOB 2769/4885MAOA 3265/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD APP 3763/4885MAOB 781/4885MAOA 998/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK APP 4019/4885MAOB 995/4885MAOA 1170/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 APP 4177/4885MAOB 573/4885MAOA 987/4885

“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.