SCHEMBL403144

SCHEMBL403144

CCS(=O)(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3cnc(C)nc3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
PLK4 O00444 4/20 0.41
PAK4 O96013 2/20 0.41
NTRK1 P04629 2/20 0.41
TBK1 Q9UHD2 2/20 0.41
PIK3CA P42336 5/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MTOR P42345 3/20 0.37
HTT P42858 1/20 0.37
CHRNA7 P36544 1/20 0.37
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL402023 0.89 KDM4E (0.43) KDM4EPLK4PAK4NTRK1TBK1
SCHEMBL399145 0.89 MAP4K4 (0.46) KDM4EPLK4PAK4NTRK1TBK1
SCHEMBL403107 0.89 PLK4 (0.49) KDM4EPLK4PAK4NTRK1TBK1
SCHEMBL402333 0.87 RAB9A (0.48) KDM4EPIK3CANPC1TP53POLB
SCHEMBL3210131 0.85 FAAH (0.43) PLK4PAK4NTRK1TBK1CHRNA7
SCHEMBL401130 0.84 KDM4E (0.46) KDM4EPLK4PAK4NTRK1TBK1
SCHEMBL402943 0.84 PIK3CA (0.44) PLK4PAK4NTRK1TBK1PIK3CA
SCHEMBL403294 0.83 ALDH1A1 (0.49) KDM4ENPC1RAB9AALDH1A1
SCHEMBL401653 0.83 CYP1A2 (0.50) KDM4ENPC1RAB9AALDH1A1
SCHEMBL399020 0.81 PIK3CA (0.50) KDM4EPLK4PAK4NTRK1TBK1

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 42 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
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US claimed
CN-101035525-A Substituted urea derivatives for the treatment of cardiac diseases CYTOKINETICS INC (US) 2007-09-12 CN 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-10385023-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2019-08-20 US disclosed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US disclosed
CN-101035525-A Substituted urea derivatives for the treatment of cardiac diseases CYTOKINETICS INC (US) 2007-09-12 CN 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 KDM4E 2547/4885PLK4 1554/4885PAK4 1493/4885
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 774/4885PLK4 725/4885PAK4 332/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KDM4E 2421/4885PLK4 1476/4885PAK4 1433/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885PLK4 1476/4885PAK4 1433/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KDM4E 2421/4885PLK4 1476/4885PAK4 1433/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885PLK4 1476/4885PAK4 1433/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885PLK4 1476/4885PAK4 1433/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KDM4E 2421/4885PLK4 1476/4885PAK4 1433/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 KDM4E 2421/4885PLK4 1476/4885PAK4 1433/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885PLK4 1476/4885PAK4 1433/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KDM4E 2421/4885PLK4 1476/4885PAK4 1433/4885

“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.