SCHEMBL971910

SCHEMBL971910

[c]1cnc(-c2ccoc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
FYN P06241 4/20 0.36
PIM1 P11309 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
USP2 O75604 3/20 0.36
CYP2D6 P10635 2/20 0.36
TP53 P04637 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CYP1A2 P05177 4/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
ATR Q13535 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL482024 0.72 RAB9A (0.39) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL5542004 0.72 ALDH1A1 (0.36) CYP11B1CYP11B2FYNPIM1ALDH1A1
SCHEMBL9585821 0.71
SCHEMBL9437048 0.70
SCHEMBL5537632 0.69 LPL (0.33) FYNALDH1A1MEN1KMT2AUSP2
SCHEMBL2438644 0.69 MAPK1 (0.41) CYP11B1CYP11B2PIM1ALDH1A1MEN1
SCHEMBL12301429 0.69 PPARA (0.45) CYP11B1CYP11B2FYNPIM1ALDH1A1
SCHEMBL1897563 0.69 BCHE (0.46) ALDH1A1MEN1KMT2AUSP2TP53
SCHEMBL2644422 0.68 ATR (0.43) CYP11B1CYP11B2FYNPIM1ALDH1A1
SCHEMBL7945635 0.68 CYP1A2 (0.51) CYP11B1CYP11B2FYNPIM1ALDH1A1

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 CYP11B1 1415/4885CYP11B2 1168/4885FYN 2202/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CYP11B1 1399/4885CYP11B2 1240/4885FYN 1699/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CYP11B1 1415/4885CYP11B2 1168/4885FYN 2202/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CYP11B1 1322/4885CYP11B2 1041/4885FYN 2287/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 CYP11B1 8/4885CYP11B2 4/4885FYN 4273/4885

“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.