SCHEMBL970690

SCHEMBL970690

COc1ccccc1-c1ncn[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
DCUN1D1 Q96GG9 2/20 0.51
MAPT P10636 2/20 0.50
ALPL P05186 1/20 0.50
PDE5A O76074 2/20 0.48
AURKA O14965 1/20 0.48
METAP2 P50579 1/20 0.47
PIM1 P11309 2/20 0.47
PIM2 Q9P1W9 2/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL15859009 0.83 IDO1 (0.54) IDO1ALDH1A1GAAMAPTPIM1
SCHEMBL2089491 0.78 IDO1 (0.45) IDO1ALDH1A1GAAMAPTALPL
SCHEMBL21849204 0.71 IDO1 (0.56) IDO1ALDH1A1HSD17B10
SCHEMBL21849637 0.71 IDO1 (0.56) IDO1ALDH1A1ALOX15IMPDH2IMPDH1
SCHEMBL3394704 0.71 ALDH1A1 (0.53) ALDH1A1GAADCUN1D1MAPTALPL
SCHEMBL3403152 0.71 ADRA1A (0.54) ALDH1A1GAADCUN1D1ALPLPDE5A
SCHEMBL29360270 0.71 ADRA1A (0.54) ALDH1A1GAADCUN1D1ALPLPDE5A
SCHEMBL21375899 0.71 IDO1 (0.44) IDO1ALDH1A1MAPTPIM1PIM2
SCHEMBL20150116 0.71 IDO1 (0.44) IDO1MAPTPIM1PIM2CSNK2B
SCHEMBL301996 0.71 CA1 (0.71) ALDH1A1GAAMAPTMETAP2USP2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016530-A1 3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE COMPOUNDS AND PREPARATION METHOD THEREFOR 南京明德新药研发有限公司 2023-02-16 WO disclosed
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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE 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 IDO1 2217/4885ALDH1A1 902/4885GAA 119/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 IDO1 2947/4885ALDH1A1 1129/4885GAA 84/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD IDO1 2217/4885ALDH1A1 902/4885GAA 119/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK IDO1 3007/4885ALDH1A1 1059/4885GAA 83/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 IDO1 2222/4885ALDH1A1 545/4885GAA 219/4885

“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.