SCHEMBL400684

SCHEMBL400684

COC(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
FAAH O00519 6/20 0.43
GPR6 P46095 1/20 0.42
PRKAA2 P54646 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK10 P53779 2/20 0.41
PLK4 O00444 1/20 0.40
PAK4 O96013 1/20 0.40
NTRK1 P04629 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
WNT1 P04628 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40

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
SCHEMBL7859141 0.91 MEN1 (0.45) FAAHTBK1BRAFKDR
SCHEMBL399603 0.91 HTR1A (0.47) MAPK10
SCHEMBL3209186 0.90 FAAH (0.44) FAAHPRKAA2NPC1TP53RAB9A
SCHEMBL398292 0.90 MAP4K4 (0.45) FAAHPRKAA2MAPK10PLK4PAK4
SCHEMBL401452 0.90 HSD17B10 (0.42) FAAHGPR6PRKAA2PLK4PAK4
SCHEMBL402943 0.89 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL401663 0.89 HTR1A (0.42) MAPK10MAPK8
SCHEMBL401754 0.89 FAAH (0.53) FAAHPRKAA2NPC1TP53ALOX15
SCHEMBL402841 0.89 PRKAA2 (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL402649 0.88 PLK4 (0.49) TP53MAPK10PLK4PAK4NTRK1

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 108 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-B1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2014-08-13 EP claimed
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP claimed
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 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-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
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
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 (8 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-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 PIK3CA 3286/4885MTOR 773/4885PIK3CD 2071/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885MTOR 1170/4885PIK3CD 2382/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885MTOR 1170/4885PIK3CD 2382/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885MTOR 1170/4885PIK3CD 2382/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885MTOR 1170/4885PIK3CD 2382/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885MTOR 1170/4885PIK3CD 2382/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885MTOR 1170/4885PIK3CD 2382/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885MTOR 1170/4885PIK3CD 2382/4885

“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.