SCHEMBL973326

SCHEMBL973326

CCOC(=O)Cc1c[c]ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
DPP4 P27487 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NR4A1 P22736 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL21855464 0.74 PKM (0.41) SMN1; SMN2DPP4KMT2APKMTDP1
SCHEMBL191263 0.72 SMN1; SMN2 (0.48) SMN1; SMN2DPP4KMT2APKMTDP1
SCHEMBL852520 0.69 PKM (0.53) SMN1; SMN2PKMALDH1A1HSD17B10
SCHEMBL29511550 0.69 PKM (0.53) SMN1; SMN2PKMALDH1A1HSD17B10
SCHEMBL974257 0.69 CYP4Z1 (0.41) SMN1; SMN2PKMCA12CA1CA2
SCHEMBL13742193 0.68 PPARG (0.47) SMN1; SMN2PKMTDP1ALDH1A1HSD17B10
SCHEMBL21352047 0.67 KMT2A (0.40) SMN1; SMN2KMT2APKMTDP1ALDH1A1
SCHEMBL2420372 0.67 PKM (0.47) KMT2APKMTDP1CA12CA1
SCHEMBL1525074 0.66 SMN1; SMN2 (0.47) SMN1; SMN2DPP4KMT2APKMCA12
SCHEMBL15415823 0.66 SMN1; SMN2 (0.47) SMN1; SMN2DPP4KMT2APKMCA12

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 SMN1; SMN2 2275/4885DPP4 250/4885KMT2A 3422/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 SMN1; SMN2 2392/4885DPP4 155/4885KMT2A 2072/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD SMN1; SMN2 2275/4885DPP4 250/4885KMT2A 3422/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK SMN1; SMN2 2837/4885DPP4 113/4885KMT2A 3040/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 SMN1; SMN2 3602/4885DPP4 163/4885KMT2A 3535/4885

“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.