SCHEMBL971465

SCHEMBL971465

CCOC(=O)COc1ccc2n[c]sc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 3/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.40
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
S1PR4 O95977 1/20 0.37

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
SCHEMBL1068827 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL12200549 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL3511089 0.77 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL25280744 0.72 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL6601697 0.71 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9987433 0.71 LTA4H (0.35) ALDH1A1KDM4ELMNA
SCHEMBL20165978 0.68 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL31742488 0.68 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL16837304 0.67 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL31715441 0.67 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA

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 14 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

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 ALDH1A1 902/4885KDM4E 2655/4885SMN1; SMN2 2275/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885KDM4E 1156/4885SMN1; SMN2 2392/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885KDM4E 2655/4885SMN1; SMN2 2275/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885KDM4E 2578/4885SMN1; SMN2 2837/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 ALDH1A1 545/4885KDM4E 2999/4885SMN1; SMN2 3602/4885

“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.