SCHEMBL401198

SCHEMBL401198

COC(=O)N1CCN(Cc2ccc(F)c(NC(=O)Nc3cccnc3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.57
CYP2D6 P10635 1/20 0.52
AURKA O14965 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CDK2 P24941 1/20 0.48
AURKB Q96GD4 1/20 0.48
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
AHR P35869 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL402216 0.94 FAAH (0.55) FAAHCYP2D6AURKACDK1CCNB1
SCHEMBL3203666 0.90 FAAH (0.59) FAAHCYP2D6AURKACDK1CCNB1
SCHEMBL402496 0.90 FAAH (0.52) FAAHCYP2D6AURKACDK1CCNB1
SCHEMBL402571 0.89 FAAH (0.45) FAAHTP53MAPT
SCHEMBL402091 0.88 FAAH (0.43) FAAHCYP2D6TP53
SCHEMBL400368 0.87 FAAH (0.59) FAAHCYP2D6MEN1LMNAKMT2A
SCHEMBL400815 0.87 RAB9A (0.45) FAAHTP53MAPT
SCHEMBL29714042 0.87 RAB9A (0.45) FAAHTP53MAPT
SCHEMBL402683 0.86 FAAH (0.52) FAAHCYP2D6AURKACDK1CCNB1
SCHEMBL403322 0.86 MEN1 (0.52) FAAHCYP2D6MEN1LMNAKMT2A

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-20070208000-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-09-06 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US 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 (11 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 FAAH 4811/4885CYP2D6 4425/4885AURKA 4093/4885
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 FAAH 4661/4885CYP2D6 4659/4885AURKA 3546/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885CYP2D6 4425/4885AURKA 4093/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885

“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.