SCHEMBL1031633

SCHEMBL1031633

CC(C)(C)OC(=O)Nc1ncc(CO)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CCNE1 P24864 4/20 0.46
CDK2 P24941 4/20 0.46
CCNE2 O96020 3/20 0.46
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46
CDK4 P11802 2/20 0.46
CCNB1 P14635 2/20 0.46
CCND1 P24385 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MAPK1 P28482 1/20 0.44
PI4KB Q9UBF8 1/20 0.42
LCK P06239 3/20 0.42
PARG Q86W56 1/20 0.42
OGA O60502 2/20 0.41
CDK5 Q00535 1/20 0.40
SCD O00767 1/20 0.40
FPR3 P25089 1/20 0.40

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
SCHEMBL31240467 0.89 MAPK1 (0.45) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL31051477 0.89 SMN1; SMN2 (0.45) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL8834765 0.88 CCNE1 (0.52) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL15839429 0.87 SMN1; SMN2 (0.46) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL28148958 0.87 SMN1; SMN2 (0.46) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL29170444 0.87 CA1 (0.47) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL31051518 0.86 CA1 (0.43) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL12725091 0.86 FDPS (0.49) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL21227967 0.86 SMN1; SMN2 (0.45) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL1903376 0.86 SMN1; SMN2 (0.45) SMN1; SMN2CCNE1CDK2CCNE2CCNB2

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931734-B1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-2931718-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2019-01-16 EP disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
CN-105143222-B Glycosidase inhibitor 默克专利有限公司 2018-02-02 CN disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
EP-1768984-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2007-04-04 EP disclosed
WO-2006036266-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2006-04-06 WO disclosed
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2006-02-16 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 (4 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-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMN1; SMN2 4710/4885CCNE1 2635/4885CDK2 934/4885
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC SMN1; SMN2 3504/4885CCNE1 42/4885CDK2 8/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2001/4885CCNE1 2843/4885CDK2 627/4885
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors AURKA, AURKB, AURKC SMN1; SMN2 3702/4885CCNE1 31/4885CDK2 9/4885

“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.