SCHEMBL959796

SCHEMBL959796

CCCCCCCCn1cc[c]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.40
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
HTT P42858 5/20 0.35
MAPK1 P28482 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GALR3 O60755 2/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 2/20 0.35
LMNA P02545 2/20 0.35
HSP90AA1 P07900 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAD52 P43351 1/20 0.35
PAX8 Q06710 1/20 0.35
NR2F2 P24468 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NOD2 Q9HC29 1/20 0.35

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
SCHEMBL960665 1.00 TBXAS1 (0.40) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL2470467 0.98 TBXAS1 (0.37) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL20588490 0.68 SLC9A1 (0.38) TBXAS1KDRPTGS1PTGS2MGLL
SCHEMBL11440961 0.67 TBXAS1 (0.47) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL6114927 0.67 TBXAS1 (0.47) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL6114640 0.67 TBXAS1 (0.47) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL6114716 0.67 TBXAS1 (0.47) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL5691507 0.67 TBXAS1 (0.47) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL6114991 0.67 TBXAS1 (0.47) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL11438392 0.67 TBXAS1 (0.47) TBXAS1NPC1RAB9AHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP 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
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP 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
WO-2011009845-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 WO 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-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 (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 TBXAS1 517/4885NPC1 4180/4885RAB9A 3528/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 TBXAS1 1307/4885NPC1 3656/4885RAB9A 2842/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD TBXAS1 517/4885NPC1 4180/4885RAB9A 3528/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK TBXAS1 792/4885NPC1 3631/4885RAB9A 3487/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 TBXAS1 46/4885NPC1 250/4885RAB9A 2688/4885

“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.