SCHEMBL970689

SCHEMBL970689

COc1ccccc1-c1n[c][nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
XDH P47989 1/20 0.45
ALDH1A1 P00352 8/20 0.44
HSD17B10 Q99714 4/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 4/20 0.43
RAB9A P51151 3/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALPL P05186 2/20 0.42
CYP1A2 P05177 3/20 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
SCHEMBL971896 0.78 IDO1 (0.43) ALDH1A1SMN1; SMN2RAB9ADCUN1D1NPC1
SCHEMBL23066466 0.73 ALDH1A1 (0.61) ALDH1A1HSD17B10GAASMN1; SMN2TP53
SCHEMBL2302769 0.71 ALDH1A1 (0.50) METAP2XDHALDH1A1HSD17B10GAA
SCHEMBL3396645 0.70 XDH (0.77) METAP2XDHALDH1A1GAAL3MBTL1
SCHEMBL16790012 0.70 CYP1A2 (0.62) ALDH1A1HSD17B10GAASMN1; SMN2TP53
SCHEMBL29429633 0.70 CA1 (0.71) METAP2ALDH1A1HSD17B10GAASMN1; SMN2
SCHEMBL301996 0.70 CA1 (0.71) METAP2ALDH1A1HSD17B10GAASMN1; SMN2
SCHEMBL29788337 0.70 CA1 (0.71) METAP2ALDH1A1HSD17B10GAASMN1; SMN2
SCHEMBL5552341 0.69 RAB9A (0.50) ALDH1A1HSD17B10GAASMN1; SMN2TP53
SCHEMBL17069077 0.69 BRD4 (0.64) METAP2XDHALDH1A1HSD17B10GAA

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 METAP2 1244/4885XDH 188/4885ALDH1A1 902/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 METAP2 1611/4885XDH 437/4885ALDH1A1 1129/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD METAP2 1244/4885XDH 188/4885ALDH1A1 902/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK METAP2 1286/4885XDH 199/4885ALDH1A1 1059/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 METAP2 1839/4885XDH 839/4885ALDH1A1 545/4885

“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.