SCHEMBL958758

SCHEMBL958758

N#Cc1ccc(Cn2cc[c]n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.55
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2699902 0.81 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2
SCHEMBL958636 0.80 CYP2A6 (0.43) CYP19A1CYP11B1CYP11B2
SCHEMBL958957 0.77 RAB9A (0.45) CYP19A1CYP11B1CYP11B2HDAC8HDAC6
SCHEMBL27827871 0.77 MAPT (0.44) CYP19A1CYP11B1CYP11B2
SCHEMBL583731 0.77 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2HDAC8HDAC6
SCHEMBL5476517 0.72 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2
SCHEMBL9156641 0.71 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2
SCHEMBL771837 0.71 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2HDAC6
SCHEMBL1860902 0.70 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2
SCHEMBL11553968 0.69 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947311-B 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 CN disclosed
CN-102007118-B Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2014-12-31 CN disclosed
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
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
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-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-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 CYP19A1 1342/4885CYP11B1 1415/4885CYP11B2 1168/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CYP19A1 1523/4885CYP11B1 1399/4885CYP11B2 1240/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CYP19A1 1342/4885CYP11B1 1415/4885CYP11B2 1168/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CYP19A1 1598/4885CYP11B1 1322/4885CYP11B2 1041/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 CYP19A1 179/4885CYP11B1 8/4885CYP11B2 4/4885

“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.