Sugi Predict

Sugi Predict / Compounds / SCHEMBL401536

SCHEMBL401536

SCHEMBL401536

CC1CN(C(=O)OC(C)(C)C)CC(C)N1Cc1cccc(NC(=O)Nc2cccnc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ CACNA1G O43497 7/20 0.41
▸ CACNA1H O95180 7/20 0.41
▸ CACNA1I Q9P0X4 7/20 0.41
▸ AHR P35869 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NAMPT P43490 2/20 0.38

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
SCHEMBL401537 1.00 KEAP1 (0.46) KEAP1NFE2L2CACNA1GCACNA1HCACNA1I
SCHEMBL398938 0.92 AHR (0.47) CACNA1GCACNA1HCACNA1IAHRKDM4E
SCHEMBL398939 0.92 AHR (0.47) CACNA1GCACNA1HCACNA1IAHRKDM4E
SCHEMBL29714034 0.89 MAPK10 (0.38) KEAP1NFE2L2GPR119HTTMEN1
SCHEMBL4241919 0.89 MAPK10 (0.38) KEAP1NFE2L2GPR119HTTMEN1
SCHEMBL4241922 0.89 MAPK10 (0.38) KEAP1NFE2L2GPR119HTTMEN1
SCHEMBL402498 0.89 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IAHRKDM4E
SCHEMBL401996 0.86 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IAHRKDM4E
SCHEMBL402439 0.85 KEAP1 (0.49) KEAP1NFE2L2AHRKDM4EHSD17B10
SCHEMBL400361 0.83 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IAHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 — — US claimed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 — — US claimed
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 — — US claimed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 — — US claimed
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 — — EP claimed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 — — US claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 — — EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 — — WO claimed
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INCORPORATED 2006-01-19 — — US claimed
US-12264133-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2025-04-01 — — US disclosed
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 — — US disclosed
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 — — US disclosed
US-10975034-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2021-04-13 — — US disclosed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 — — US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
US-20090099198-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-04-16 — — US disclosed
US-7507735-B2 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INC. (US) 2009-03-24 — — US disclosed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 — — US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — US disclosed
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INCORPORATED 2006-01-19 — — 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 (12 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 KEAP1 1086/4885NFE2L2 1593/4885CACNA1G 1097/4885
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate TNNI3, MYLK2, TNNT2 KEAP1 2302/4885NFE2L2 2232/4885CACNA1G 1154/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885CACNA1G 1271/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885CACNA1G 1271/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885CACNA1G 1271/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885CACNA1G 1271/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885CACNA1G 1271/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885CACNA1G 1271/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 KEAP1 1086/4885NFE2L2 1593/4885CACNA1G 1097/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885CACNA1G 1271/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885CACNA1G 1271/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885CACNA1G 1271/4885

“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.