SCHEMBL971977

SCHEMBL971977

[c]1cnc(-c2cccs2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
CASP1 P29466 1/20 0.50
MAPK10 P53779 1/20 0.50
CASP7 P55210 1/20 0.50
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4183091 0.72 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL17701211 0.72 PIM1 (0.33)
SCHEMBL3155423 0.69 CYP3A4 (0.55) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL21127191 0.69 KDM4E (0.50) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL2645238 0.69 NPC1 (0.53) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL5544362 0.69 CYP2C9 (0.50) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL482024 0.68 RAB9A (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17701229 0.68 RAB9A (0.42) ALDH1A1RAB9AHSD17B10CYP1A2CYP2A6
SCHEMBL28611940 0.68 KDM4E (0.51) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL7610762 0.68 ALDH1A1 (0.34) ALDH1A1HPGDGAAMAPT

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
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
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 KDM4E 2655/4885ALDH1A1 902/4885NPC1 4180/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 KDM4E 1156/4885ALDH1A1 1129/4885NPC1 3656/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD KDM4E 2655/4885ALDH1A1 902/4885NPC1 4180/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK KDM4E 2578/4885ALDH1A1 1059/4885NPC1 3631/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 KDM4E 2999/4885ALDH1A1 545/4885NPC1 250/4885

“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.