SCHEMBL970374

SCHEMBL970374

CNC(=O)COc1ccc2n[c]sc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 2/20 0.34
RECQL P46063 2/20 0.34
MAPT P10636 5/20 0.33
KDM4E B2RXH2 5/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
DPP4 P27487 1/20 0.32
DYRK1A Q13627 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL971465 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL1068827 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL9072333 0.76 PIK3CA (0.39) ALDH1A1SMN1; SMN2MAPTKDM4EDYRK1A
SCHEMBL971240 0.72 TAAR1 (0.34) SMN1; SMN2KDM4EHPGD
SCHEMBL9987552 0.66
SCHEMBL23152121 0.63 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMMAPTKDM4E
SCHEMBL971907 0.62 GPR119 (0.43)
SCHEMBL2858346 0.62 PKM (0.63) ALDH1A1SMN1; SMN2PKMRECQLNPC1
Hydrochloric Acid SCHEMBL10955756 0.60 PKM (0.61) ALDH1A1SMN1; SMN2PKMRECQLNPC1
SCHEMBL17775464 0.60 ALOX15 (0.59) ALDH1A1SMN1; SMN2PKMRECQLMAPT

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
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US 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-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-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127546-A1 PYRROLIDINONE 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 ACSS2 497/4885ALDH1A1 902/4885SMN1; SMN2 2275/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ACSS2 560/4885ALDH1A1 1129/4885SMN1; SMN2 2392/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ACSS2 497/4885ALDH1A1 902/4885SMN1; SMN2 2275/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ACSS2 494/4885ALDH1A1 1059/4885SMN1; SMN2 2837/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 ACSS2 202/4885ALDH1A1 545/4885SMN1; SMN2 3602/4885

“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.