SCHEMBL969717

SCHEMBL969717

Cn1cnnc1Sc1cn[c]s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CASP6 P55212 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
CBLB Q13191 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
SCHEMBL31399926 0.65 HSD17B10 (0.64) GCKHSD17B10KDM4EL3MBTL1TDP1
SCHEMBL8047637 0.64 LMNA (0.39) GCKHSD17B10L3MBTL1CASP6TDP1
SCHEMBL8044648 0.62 HSD17B10 (0.50) GCKHSD17B10KDM4ETDP1ALDH1A1
SCHEMBL5962387 0.60 CBLB (0.50) HSD17B10L3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL31399945 0.57 HSD17B10 (0.54) HSD17B10KDM4EL3MBTL1ALDH1A1HTT
SCHEMBL971169 0.56
SCHEMBL31400002 0.55 HSD17B10 (0.39) HSD17B10KDM4EL3MBTL1TDP1ALDH1A1
SCHEMBL16018117 0.55 ALDH1A1 (0.46) HSD17B10KDM4EHSD11B1L3MBTL1ALDH1A1
SCHEMBL4378220 0.54 ALDH1A1 (0.49) HSD17B10KDM4EHSD11B1L3MBTL1TDP1
SCHEMBL10403528 0.54 CBLB (0.44) HSD17B10L3MBTL1ALDH1A1SMN1; SMN2ALOX15

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 11 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
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

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 GCK 1/4885HSD17B10 837/4885KDM4E 2655/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 GCK 2/4885HSD17B10 1130/4885KDM4E 1156/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GCK 1/4885HSD17B10 837/4885KDM4E 2655/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK GCK 1/4885HSD17B10 826/4885KDM4E 2578/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 GCK 227/4885HSD17B10 81/4885KDM4E 2999/4885

“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.