SCHEMBL402439

SCHEMBL402439

CC(C)(C)OC(=O)N1CCN(Cc2cccc(NC(=O)Nc3cccnc3)c2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
RORC P51449 1/20 0.45
DHODH Q02127 1/20 0.45
FAAH O00519 6/20 0.44
GPR119 Q8TDV5 2/20 0.43
AHR P35869 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
HTT P42858 1/20 0.41
NAMPT P43490 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41

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
SCHEMBL402102 0.92 AHR (0.49) RORCDHODHFAAHAHRKDM4E
SCHEMBL402436 0.89 ALDH1A1 (0.52) RORCDHODHFAAHAHRKDM4E
SCHEMBL401677 0.89 RORC (0.44) RORCDHODHGPR119KDM4ECCNK
SCHEMBL402492 0.88 RORC (0.49) RORCDHODHFAAHAHRKDM4E
SCHEMBL402505 0.85 RORC (0.47) RORCDHODHFAAHAHRKDM4E
SCHEMBL401537 0.85 KEAP1 (0.46) KEAP1NFE2L2GPR119AHRKDM4E
SCHEMBL401536 0.85 KEAP1 (0.46) KEAP1NFE2L2GPR119AHRKDM4E
SCHEMBL3198614 0.84 TBK1 (0.42) RORCDHODHKDM4ECCNKCDK12
SCHEMBL402428 0.83 HTR1A (0.49) FAAHAHRKDM4EHSD17B10TAAR1
SCHEMBL15943536 0.82 ALDH1A1 (0.46) GPR119KDM4EHTT

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 45 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
EP-2862859-A2 Compounds, compositions and methods Cytokinetics, Inc. (US) 2015-04-22 EP 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-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO 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 (10 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 1593/4885RORC 2972/4885
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 2232/4885RORC 4016/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885RORC 3759/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885RORC 3759/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885RORC 3759/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885RORC 3759/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885RORC 3759/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885RORC 3759/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885RORC 3759/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KEAP1 1644/4885NFE2L2 2690/4885RORC 3759/4885

“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.