SCHEMBL971897

SCHEMBL971897

Fc1ccccc1-c1ncn[nH]1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.61
DCUN1D1 Q96GG9 2/20 0.47
PIM1 P11309 6/20 0.47
PIM2 Q9P1W9 6/20 0.47
CSNK2B P67870 4/20 0.47
CSNK2A1 P68400 4/20 0.47
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FLT3 P36888 2/20 0.44
BAD Q92934 2/20 0.44
PIM3 Q86V86 1/20 0.44
AKT1 P31749 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL11683834 0.76 IDO1 (1.00) IDO1DCUN1D1NPC1ALDH1A1RAB9A
SCHEMBL28226382 0.76 IDO1 (0.56) IDO1ALDH1A1
SCHEMBL3094052 0.74 IDO1 (0.53) IDO1PIM1PIM2CSNK2BCSNK2A1
SCHEMBL1441332 0.74 IDO1 (0.61) IDO1PKM
SCHEMBL970690 0.72 IDO1 (0.56) IDO1DCUN1D1PIM1PIM2CSNK2B
SCHEMBL1672512 0.71 IDO1 (0.59) IDO1ALDH1A1RAB9A
SCHEMBL2721372 0.70 IDO1 (0.60) IDO1DCUN1D1ALDH1A1
SCHEMBL3744556 0.69 IDO1 (0.50) IDO1ALDH1A1
SCHEMBL22980059 0.69 IDO1 (0.53) IDO1PIM1ALDH1A1RAB9AL3MBTL1
SCHEMBL29516758 0.68 IDO1 (0.58) IDO1ALDH1A1

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
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-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 (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 2217/4885DCUN1D1 3836/4885PIM1 3297/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 IDO1 2947/4885DCUN1D1 2463/4885PIM1 898/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD IDO1 2217/4885DCUN1D1 3836/4885PIM1 3297/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK IDO1 3007/4885DCUN1D1 3907/4885PIM1 2934/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 IDO1 2222/4885DCUN1D1 3555/4885PIM1 4210/4885

“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.