SCHEMBL401006

SCHEMBL401006

COC(=O)N1CCN(Cc2c(F)ccc(NC(=O)Nc3cccnc3)c2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
FAAH O00519 7/20 0.46
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
CYP2D6 P10635 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 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
SCHEMBL402372 0.87 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL402102 0.86 AHR (0.49) AHRFAAHKDM4EHSD17B10KMT2A
SCHEMBL401198 0.85 FAAH (0.57) AHRFAAHKDM4EHSD17B10ALDH1A1
SCHEMBL402496 0.84 FAAH (0.52) AHRFAAHKDM4EHSD17B10KMT2A
SCHEMBL403322 0.84 MEN1 (0.52) AHRFAAHKDM4EALDH1A1KMT2A
SCHEMBL402946 0.83 FAAH (0.49) AHRFAAHKDM4EHSD17B10KMT2A
SCHEMBL402428 0.80 HTR1A (0.49) AHRFAAHKDM4EHSD17B10KMT2A
SCHEMBL402066 0.80 FAAH (0.54) AHRFAAHKDM4EALDH1A1CYP2D6
SCHEMBL402436 0.80 ALDH1A1 (0.52) AHRFAAHKDM4EHSD17B10ALDH1A1
SCHEMBL400368 0.79 FAAH (0.59) FAAHALDH1A1KMT2AMEN1MAPT

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 AHR 4437/4885FAAH 4811/4885KDM4E 2547/4885
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 AHR 4455/4885FAAH 4661/4885KDM4E 774/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AHR 4674/4885FAAH 4697/4885KDM4E 2421/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 AHR 4674/4885FAAH 4697/4885KDM4E 2421/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AHR 4674/4885FAAH 4697/4885KDM4E 2421/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AHR 4674/4885FAAH 4697/4885KDM4E 2421/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 AHR 4674/4885FAAH 4697/4885KDM4E 2421/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 AHR 4674/4885FAAH 4697/4885KDM4E 2421/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AHR 4674/4885FAAH 4697/4885KDM4E 2421/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AHR 4674/4885FAAH 4697/4885KDM4E 2421/4885

“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.