Sugi Predict

Sugi Predict / Compounds / SCHEMBL400863

SCHEMBL400863

SCHEMBL400863

CN(C)S(=O)(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3cncnc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 8/20 0.47
▸ PAK4 O96013 3/20 0.47
▸ NTRK1 P04629 3/20 0.47
▸ TBK1 Q9UHD2 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PIK3CA P42336 3/20 0.37
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ ICAM1 P05362 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DDR1 Q08345 2/20 0.36

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
SCHEMBL399145 0.89 MAP4K4 (0.46) PLK4PAK4NTRK1TBK1CYP1A2
SCHEMBL403107 0.89 PLK4 (0.49) PLK4PAK4NTRK1TBK1CYP1A2
SCHEMBL402968 0.89 CYP1A2 (0.61) CYP1A2MAP4K4ALDH1A1LMNAMCHR1
SCHEMBL398515 0.87 MAP4K4 (0.47) CYP1A2MAP4K4ALDH1A1LMNAPIK3CA
SCHEMBL401393 0.85 CYP1A2 (0.48) PLK4PAK4NTRK1TBK1CYP1A2
SCHEMBL403445 0.84 ALDH1A1 (0.47) CYP1A2MAP4K4ALDH1A1LMNAMEN1
SCHEMBL401904 0.82 MAP4K4 (0.44) CYP1A2MAP4K4ALDH1A1LMNAPIK3CA
SCHEMBL402319 0.82 CYP1A2 (0.44) PLK4PAK4NTRK1TBK1CYP1A2
SCHEMBL398208 0.81 PLK4 (0.49) PLK4PAK4NTRK1TBK1ALDH1A1
SCHEMBL403144 0.78 KDM4E (0.42) PLK4PAK4NTRK1TBK1ALDH1A1

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
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-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 disclosed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 — — 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
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 PLK4 1554/4885PAK4 1493/4885NTRK1 4867/4885
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 PLK4 725/4885PAK4 332/4885NTRK1 4835/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PLK4 1476/4885PAK4 1433/4885NTRK1 4881/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PLK4 1476/4885PAK4 1433/4885NTRK1 4881/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PLK4 1476/4885PAK4 1433/4885NTRK1 4881/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 PLK4 1554/4885PAK4 1493/4885NTRK1 4867/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 PLK4 2831/4885PAK4 1512/4885NTRK1 3689/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PLK4 1476/4885PAK4 1433/4885NTRK1 4881/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PLK4 1476/4885PAK4 1433/4885NTRK1 4881/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 PLK4 1476/4885PAK4 1433/4885NTRK1 4881/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PLK4 1476/4885PAK4 1433/4885NTRK1 4881/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PLK4 1476/4885PAK4 1433/4885NTRK1 4881/4885

“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.