SCHEMBL971896

SCHEMBL971896

Fc1ccccc1-c1n[c][nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
DCUN1D1 Q96GG9 2/20 0.40
NOTUM Q6P988 2/20 0.40
NISCH Q9Y2I1 1/20 0.38
PKM P14618 3/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 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
SCHEMBL970689 0.78 METAP2 (0.46) DCUN1D1NPC1L3MBTL1RAB9AALDH1A1
SCHEMBL604349 0.72 NPC1 (0.44) IDO1NPC1L3MBTL1RAB9AMAPK1
SCHEMBL18920485 0.71 ALDH1A1 (0.48) IDO1DCUN1D1NOTUMNISCHPKM
SCHEMBL8294492 0.68 ALDH1A1 (0.73) IDO1PKML3MBTL1ALDH1A1MEN1
SCHEMBL10801976 0.68 DCUN1D1 (0.43) IDO1DCUN1D1NOTUMNISCHPKM
SCHEMBL4400229 0.67 NPC1 (0.46) IDO1DCUN1D1NOTUMNISCHPKM
SCHEMBL31517695 0.67 NPC1 (0.46) IDO1DCUN1D1NOTUMNISCHPKM
SCHEMBL4045966 0.67 IDO1 (0.46) IDO1DCUN1D1NOTUMNISCHPKM
SCHEMBL316156 0.67 IDO1 (0.50) IDO1DCUN1D1NOTUMNISCHPKM
SCHEMBL5552052 0.67 NPC1 (0.42) IDO1NOTUMPKMNPC1L3MBTL1

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-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 3836/4885NOTUM 2438/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 IDO1 2947/4885DCUN1D1 2463/4885NOTUM 2347/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD IDO1 2217/4885DCUN1D1 3836/4885NOTUM 2438/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK IDO1 3007/4885DCUN1D1 3907/4885NOTUM 2791/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 IDO1 2222/4885DCUN1D1 3555/4885NOTUM 780/4885

“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.