SCHEMBL179490

SCHEMBL179490

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 13/20 0.52
CDK2 P24941 13/20 0.52
CCNE2 O96020 12/20 0.52
CDK4 P11802 7/20 0.52
CDK1 P06493 6/20 0.52
CCND1 P24385 6/20 0.52
CCNB2 O95067 5/20 0.52
CCNB1 P14635 5/20 0.52
CCNB3 Q8WWL7 5/20 0.52
CCND2 P30279 1/20 0.52
CCND3 P30281 1/20 0.52
CNR2 P34972 1/20 0.46
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
FFAR2 O15552 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL21389733 0.88 CCNE1 (0.49) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL19261385 0.83 CCND3 (0.43) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL21369612 0.83 CCNE1 (0.45) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL16662495 0.82 CNR2 (0.41) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL19727246 0.81 CDK2 (0.47) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL20877512 0.80 CA1 (0.47) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL12851970 0.80 RAB9A (0.62) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL11915994 0.78 KDR (0.62) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL20049878 0.77 CCNE1 (0.43) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL13543136 0.76 SMN1; SMN2 (0.60) CCNE1CDK2CCNE2CDK4CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11731972-B2 Spiro compounds as glycosidase inhibitors ASCENEURON SA (CH) 2023-08-22 US disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-05-12 US disclosed
US-11247987-B2 Inhibiting ubiquitin specific peptidase 30 FORMA THERAPEUTICS, INC. (US) 2022-02-15 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 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 (17 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB CCNE1 1941/4885CDK2 128/4885CCNE2 2586/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA CCNE1 655/4885CDK2 97/4885CCNE2 998/4885
US-11247987-B2 Inhibiting ubiquitin specific peptidase 30 USP30, UCHL1, UCHL3 CCNE1 2017/4885CDK2 1051/4885CCNE2 1830/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD CCNE1 1873/4885CDK2 119/4885CCNE2 2340/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CCNE1 1333/4885CDK2 100/4885CCNE2 2038/4885
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS BACE1, ENGASE, GBA3 CCNE1 1000/4885CDK2 2649/4885CCNE2 2103/4885
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 CCNE1 1597/4885CDK2 396/4885CCNE2 1684/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CCNE1 1333/4885CDK2 100/4885CCNE2 2038/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB CCNE1 1941/4885CDK2 128/4885CCNE2 2586/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 CCNE1 1234/4885CDK2 1010/4885CCNE2 976/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CCNE1 425/4885CDK2 77/4885CCNE2 908/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CCNE1 612/4885CDK2 150/4885CCNE2 1120/4885
US-11731972-B2 Spiro compounds as glycosidase inhibitors GLA, BACE1, GAA CCNE1 713/4885CDK2 1327/4885CCNE2 755/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CCNE1 621/4885CDK2 85/4885CCNE2 1281/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CCNE1 1037/4885CDK2 78/4885CCNE2 1407/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A CCNE1 425/4885CDK2 77/4885CCNE2 908/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE CCNE1 434/4885CDK2 678/4885CCNE2 732/4885

“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.