SCHEMBL971690

SCHEMBL971690

COc1cc(-c2ncn[nH]2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
MPI P34949 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BRD4 O60885 3/20 0.46
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL971261 0.78 CYP1A1 (0.50) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL2089491 0.75 IDO1 (0.45) KDM4EPOLBTSHRALDH1A1GAA
SCHEMBL12768570 0.74 KDM4E (0.57) KDM4EPOLBTSHRALDH1A1GAA
SCHEMBL771235 0.71 SMPD3 (0.73) KDM4EPOLBTSHRALDH1A1GAA
SCHEMBL721861 0.71 ACHE (0.65) KDM4EPOLBTSHRALDH1A1GAA
SCHEMBL6616481 0.70 NPC1 (0.51) KDM4EALDH1A1GAAMPIAPOBEC3G
SCHEMBL1528331 0.69 KDM4E (1.00) KDM4EPOLBTSHRALDH1A1GAA
SCHEMBL11683086 0.69 IDO1 (0.51) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL30940605 0.68 KDM4E (0.50) KDM4EPOLBTSHRALDH1A1GAA
SCHEMBL28330711 0.67 KDM4E (0.49) KDM4EPOLBTSHRALDH1A1GAA

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 13 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-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-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 2655/4885POLB 1984/4885TSHR 2581/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 KDM4E 1156/4885POLB 1255/4885TSHR 3084/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD KDM4E 2655/4885POLB 1984/4885TSHR 2581/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK KDM4E 2578/4885POLB 2078/4885TSHR 2033/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 KDM4E 2999/4885POLB 3428/4885TSHR 1543/4885

“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.