SCHEMBL402608

SCHEMBL402608

CC(=O)N1C[C@@H](C)N(Cc2cccc(NN(C=O)c3ccc(C)nc3)c2F)[C@@H](C)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RORC P51449 1/20 0.31
PTGS2 P35354 1/20 0.31
MMP2 P08253 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL2252525 0.89 KMT2A (0.35) AOC3KMT2AMEN1RORCPTGS2
SCHEMBL2252263 0.89 KMT2A (0.35) AOC3KMT2AMEN1RORCPTGS2
SCHEMBL401603 0.87 AOC3 (0.30) AOC3
SCHEMBL401403 0.85
SCHEMBL402808 0.85 MEN1 (0.37) KMT2AMEN1RORC
SCHEMBL23573782 0.81 NPSR1 (0.42) KMT2AMEN1RORC
SCHEMBL401152 0.80 DHODH (0.36) RORC
SCHEMBL2254865 0.78 PIK3CA (0.35) KMT2AMEN1
SCHEMBL2255735 0.78 MEN1 (0.32) KMT2AMEN1
SCHEMBL2255999 0.78 MEN1 (0.32) KMT2AMEN1

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 52 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-7989455-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-08-02 US claimed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US claimed
US-20070197497-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2007-08-23 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
WO-2007078839-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 WO disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO 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 AOC3 2027/4885KMT2A 4052/4885MEN1 4319/4885
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 AOC3 1962/4885KMT2A 2999/4885MEN1 4745/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885
US-20070197497-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 AOC3 1973/4885KMT2A 4396/4885MEN1 4344/4885

“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.