SCHEMBL1009548

SCHEMBL1009548

COCCN(C(=O)OC(C)(C)C)c1cc[c]nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.37
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
OXTR P30559 3/20 0.32
AVPR1A P37288 1/20 0.32
AVPR2 P30518 1/20 0.32
CSNK2A1 P68400 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TP53 P04637 1/20 0.31
CSNK2A2 P19784 1/20 0.31
GBA1 P04062 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9987520 0.80 ALDH1A1 (0.34) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL1794002 0.79 F2 (0.40) F2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1570978 0.76 MT-CO2 (0.47) F2ALDH1A1MEN1KMT2A
SCHEMBL1794562 0.75 F2 (0.39) F2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1242165 0.75 F2 (0.41) F2ALDH1A1HPGDMEN1KMT2A
SCHEMBL31378320 0.74 KDM4E (0.39) F2KDM4EALDH1A1MEN1KMT2A
SCHEMBL31378290 0.73 F2 (0.37) F2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1242068 0.72 TSHR (0.40) F2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL2664537 0.72 HCAR3 (0.45) F2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2037258 0.71 BRAF (0.34)

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 12 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
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
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-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO 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 (4 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 F2 1464/4885KDM4E 2655/4885ALDH1A1 902/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 F2 2146/4885KDM4E 1156/4885ALDH1A1 1129/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK F2 1942/4885KDM4E 2578/4885ALDH1A1 1059/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 F2 927/4885KDM4E 2999/4885ALDH1A1 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.