SCHEMBL545398

SCHEMBL545398

Cc1ccc(N(C=O)Nc2cccc(CN3CCN(S(=O)(=O)N(C)C)CC3)c2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ICAM1 P05362 1/20 0.34
MAP4K4 O95819 1/20 0.33
DDR1 Q08345 1/20 0.32
SCN1A P35498 5/20 0.32
SCN8A Q9UQD0 5/20 0.32
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN5A Q14524 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EED O75530 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL402818 0.91 KDM4E (0.38) KDM4ETDP1SCN1ASCN8AALDH1A1
SCHEMBL400515 0.91 NPSR1 (0.41) KDM4ETDP1SCN1ASCN8AALDH1A1
SCHEMBL401323 0.90 ATM (0.37) KDM4ETDP1SCN1ASCN8AALDH1A1
SCHEMBL2251868 0.87 MEN1 (0.31) MEN1KMT2A
SCHEMBL2254859 0.87 MEN1 (0.31) MEN1KMT2A
SCHEMBL401403 0.85
SCHEMBL401152 0.85 DHODH (0.36) KDM4EALDH1A1L3MBTL1
SCHEMBL402808 0.85 MEN1 (0.37) KDM4EALDH1A1MEN1KMT2AATM
SCHEMBL4235546 0.81 NPC1 (0.44) ALDH1A1NPSR1LMNAHTTPIK3CD
SCHEMBL2254865 0.80 PIK3CA (0.35) MEN1KMT2APIK3CDPIK3CAPIK3CB

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-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-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 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 (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 KDM4E 2547/4885TDP1 3263/4885ICAM1 2340/4885
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 KDM4E 774/4885TDP1 3687/4885ICAM1 3012/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885TDP1 3400/4885ICAM1 3388/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KDM4E 2421/4885TDP1 3400/4885ICAM1 3388/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885TDP1 3400/4885ICAM1 3388/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 KDM4E 2547/4885TDP1 3263/4885ICAM1 2340/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 KDM4E 3852/4885TDP1 148/4885ICAM1 2076/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885TDP1 3400/4885ICAM1 3388/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KDM4E 2421/4885TDP1 3400/4885ICAM1 3388/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 KDM4E 2421/4885TDP1 3400/4885ICAM1 3388/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885TDP1 3400/4885ICAM1 3388/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885TDP1 3400/4885ICAM1 3388/4885

“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.