SCHEMBL972752

SCHEMBL972752

CN(C(=O)OC(C)(C)C)c1cn[c]cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
SSTR4 P31391 1/20 0.32
USP30 Q70CQ3 1/20 0.31
BRD4 O60885 1/20 0.30
TTK P33981 1/20 0.30

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
SCHEMBL20477499 0.77 PAX8 (0.36) PAX8CKS1BSKP1SKP2SSTR4
SCHEMBL1265669 0.76 POLB (0.42) PAX8ALDH1A1SSTR4USP30
SCHEMBL25763092 0.76 PAX8 (0.35) PAX8ALDH1A1CKS1BSKP1SKP2
SCHEMBL26947077 0.75 PAX8 (0.34) PAX8ALDH1A1CKS1BSKP1SKP2
SCHEMBL31491952 0.75 PAX8 (0.34) PAX8ALDH1A1CKS1BSKP1SKP2
SCHEMBL9072452 0.75 PAX8 (0.34) PAX8ALDH1A1CKS1BSKP1SKP2
SCHEMBL20037705 0.72 TTK (0.39) PAX8ALDH1A1CKS1BSKP1SKP2
SCHEMBL31230870 0.72 PAX8 (0.33) PAX8ALDH1A1CKS1BSKP1SKP2
SCHEMBL56808 0.71 TTK (0.37) PAX8ALDH1A1CKS1BSKP1SKP2
SCHEMBL20477500 0.71 PAX8 (0.34) PAX8ALDH1A1SSTR4USP30BRD4

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
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
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-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-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 PAX8 2792/4885ALDH1A1 902/4885CKS1B 867/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 PAX8 1785/4885ALDH1A1 1129/4885CKS1B 817/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD PAX8 2792/4885ALDH1A1 902/4885CKS1B 867/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK PAX8 2989/4885ALDH1A1 1059/4885CKS1B 942/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 PAX8 4557/4885ALDH1A1 545/4885CKS1B 1012/4885

“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.