SCHEMBL971778

SCHEMBL971778

Nc1nc2cc[c]nc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
AXL P30530 1/20 0.35
GFER P55789 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
PIK3CA P42336 5/20 0.33
PI4KA P42356 5/20 0.33
PI4KB Q9UBF8 5/20 0.33
NPC1 O15118 2/20 0.33
SCN4A P35499 2/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL184703 0.69 GAA (0.48) RAB9AMAPTAXLGFERGAA
SCHEMBL5533108 0.69 RAB9A (0.48) RAB9AMAPTAXLGFERGAA
SCHEMBL30526769 0.69 GAA (0.48) RAB9AMAPTAXLGFERGAA
SCHEMBL31109671 0.69 RAB9A (0.48) RAB9AMAPTAXLGFERGAA
SCHEMBL2666929 0.68 RAB9A (0.42) RAB9AMAPTAXLGFERGAA
Hydrochloric Acid SCHEMBL31194832 0.68 RAB9A (0.47) RAB9AMAPTAXLGFERGAA
Bromide SCHEMBL641190 0.68 GAA (0.47) RAB9AMAPTAXLGFERGAA
SCHEMBL113113 0.65 RAB9A (0.40) RAB9AMAPTAXLGFERGAA
SCHEMBL137507 0.65 PDK1 (0.58) RAB9AMAPTGAAHTTSMN1; SMN2
SCHEMBL11999657 0.65 RAB9A (0.40) RAB9AMAPTAXLGFERGAA

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-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 RAB9A 3528/4885MAPT 3715/4885AXL 2609/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 RAB9A 2842/4885MAPT 4151/4885AXL 3508/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD RAB9A 3528/4885MAPT 3715/4885AXL 2609/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK RAB9A 3487/4885MAPT 3782/4885AXL 2643/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 RAB9A 2688/4885MAPT 3832/4885AXL 4856/4885

“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.