SCHEMBL971947

SCHEMBL971947

Cc1cc(-c2nc3[c]cccc3o2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 2/20 0.37
ALK Q9UM73 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
HPGD P15428 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HCRTR1 O43613 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL970884 0.75 NPC1 (0.31) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL547804 0.72 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL1528390 0.72 NPC1 (0.50) L3MBTL1PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL496284 0.70 GAA (0.36) L3MBTL1KDM4EGAAALDH1A1MAPT
SCHEMBL7292291 0.69 SMN1; SMN2 (0.42) L3MBTL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9590894 0.67 PIK3CB (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL695735 0.67 TP53 (0.47) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL17183456 0.66 L3MBTL1 (0.55) L3MBTL1PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL695330 0.66 RAB9A (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL693715 0.66 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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 6 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
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-20090264434-A1 PYRIDAZINONE 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 L3MBTL1 4254/4885PDE10A 1284/4885NPC1 4180/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD L3MBTL1 4254/4885PDE10A 1284/4885NPC1 4180/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK L3MBTL1 4364/4885PDE10A 1354/4885NPC1 3631/4885

“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.