SCHEMBL972753

SCHEMBL972753

CC(C)(C)OC(=O)CNc1cn[c]cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ CCNB2 O95067 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTPRC P08575 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL971205 0.77 GSK3B (0.40) —
SCHEMBL12295518 0.72 RAB9A (0.45) CCNT1MAPTALDH1A1GAA
SCHEMBL18286138 0.72 PTK2 (0.49) CCNT1L3MBTL1MAPTALDH1A1TDP1
SCHEMBL6434747 0.72 CCNT1 (0.41) CCNT1L3MBTL1KDM4EALDH1A1
SCHEMBL31407474 0.72 RAB9A (0.45) CCNT1MAPTALDH1A1GAA
SCHEMBL691502 0.71 HCAR3 (0.60) —
SCHEMBL29820400 0.71 SORT1 (0.40) CCNT1MAPT
SCHEMBL2068741 0.70 CCNT1 (0.42) CCNT1L3MBTL1CCNB2CCNE2CDK1
SCHEMBL23810655 0.70 NPC1 (0.38) CCNT1L3MBTL1CCNB2CCNE2CDK1
SCHEMBL1725418 0.70 HCAR3 (0.41) CCNT1PTPRCGAA

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 CCNT1 2504/4885L3MBTL1 4254/4885CCNB2 2361/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CCNT1 3241/4885L3MBTL1 4431/4885CCNB2 3528/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CCNT1 2504/4885L3MBTL1 4254/4885CCNB2 2361/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CCNT1 3499/4885L3MBTL1 4364/4885CCNB2 2828/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 CCNT1 1190/4885L3MBTL1 4425/4885CCNB2 391/4885

“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.

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