SCHEMBL972774

SCHEMBL972774

CCOC(=O)CN(C)c1cn[c]s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LTA4H P09960 2/20 0.36
CDK1 P06493 2/20 0.33
CDK4 P11802 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 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
SCHEMBL999632 0.72 SMN1; SMN2 (0.57) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL13587924 0.69 ALDH1A1 (0.43) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL971410 0.69 CCNB2 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2ACDK1
SCHEMBL969584 0.68 CDC7 (0.44) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL12503500 0.67 ALDH1A1 (0.41) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL970570 0.67 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ACDK1
SCHEMBL8913104 0.66 NLRP3 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL2441234 0.66 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL23302997 0.66 HTT (0.50) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL27568133 0.66 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2

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 CA12 4799/4885CA1 4735/4885CA2 3057/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CA12 4555/4885CA1 4305/4885CA2 2535/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CA12 4799/4885CA1 4735/4885CA2 3057/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CA12 4798/4885CA1 4795/4885CA2 2887/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 CA12 2519/4885CA1 4216/4885CA2 2100/4885

“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.