SCHEMBL971260

SCHEMBL971260

COc1cc(OC)cc(-c2n[c][nH]n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.42
CYP1B1 Q16678 6/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2E1 P05181 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C8 P10632 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2A6 P11509 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP4B1 P13584 3/20 0.42
CYP2B6 P20813 3/20 0.42
CYP3A5 P20815 3/20 0.42
CYP2A7 P20853 3/20 0.42
CYP3A7 P24462 3/20 0.42
CYP2F1 P24903 3/20 0.42
CYP2C18 P33260 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2J2 P51589 3/20 0.42
CYP4F2 P78329 3/20 0.42
CYP4F8 P98187 3/20 0.42

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
SCHEMBL971689 0.79 KDM4E (0.44) CYP3A4ALDH1A1HPGDHSD17B10MAPT
SCHEMBL12130262 0.69 CYP1A1 (0.49) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL2954516 0.67 ALDH1A1 (0.79) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL15553105 0.67 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL604349 0.66 NPC1 (0.44) SMN1; SMN2NPC1RAB9AADORA3
SCHEMBL1528220 0.66 ALDH1A1 (0.56) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL18544763 0.64 CYP1A1 (0.52) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL5791912 0.64 CYP1A1 (0.55) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28493 0.64 ALDH1A1 (1.00) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL2094695 0.63 ALDH1A1 (0.45) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4

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-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 CYP1A1 1381/4885CYP1B1 1005/4885CYP1A2 630/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CYP1A1 2620/4885CYP1B1 1933/4885CYP1A2 1710/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CYP1A1 1381/4885CYP1B1 1005/4885CYP1A2 630/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CYP1A1 1500/4885CYP1B1 1214/4885CYP1A2 651/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 CYP1A1 261/4885CYP1B1 84/4885CYP1A2 70/4885

“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.