Sugi Predict

Sugi Predict / Compounds / SCHEMBL400317

SCHEMBL400317

SCHEMBL400317

Cc1ccc(NC(=O)Nc2cc(F)cc(CN3CCN4[C@@H](C3)CN(C)S4(=O)=O)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 2/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ BRAF P15056 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ HTR1D P28221 2/20 0.37
▸ HTR1B P28222 2/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ MAPK10 P53779 3/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ CCR3 P51677 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ WNT1 P04628 1/20 0.35

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
SCHEMBL401842 1.00 PLK4 (0.38) PLK4PAK4NTRK1TBK1BRAF
SCHEMBL23573858 0.90 PIK3CA (0.35) ADRB2RORCGRIN2B
SCHEMBL400316 0.87 MAPK8 (0.38) KDRHTR1AHTR1DHTR1BMAPK10
SCHEMBL398396 0.87 MAPK8 (0.38) KDRHTR1AHTR1DHTR1BMAPK10
SCHEMBL402649 0.85 PLK4 (0.49) PLK4PAK4NTRK1TBK1BRAF
SCHEMBL399088 0.81 MAPK10 (0.40) PLK4PAK4NTRK1TBK1HTR1A
SCHEMBL402476 0.81 LTA4H (0.41) BRAFKDRADRB2RORCMAPK10
SCHEMBL402765 0.81 LTA4H (0.41) BRAFKDRADRB2RORCMAPK10
SCHEMBL4238184 0.81 LTA4H (0.41) BRAFKDRADRB2RORCMAPK10
SCHEMBL3201129 0.80 RORC (0.48) RORC

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 39 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
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
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-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 — — US disclosed
US-20090099198-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-04-16 — — 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 (14 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-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PLK4 1476/4885PAK4 1433/4885NTRK1 4881/4885
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-20090099198-A1 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.