SCHEMBL402842

SCHEMBL402842

Cc1ccc(NN(C=O)c2cccc(CCN3CCN(S(C)(=O)=O)CC3)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.40
PIK3CD O00329 2/20 0.40
PIK3R1 P27986 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
HTR1A P08908 11/20 0.40
HTR1D P28221 11/20 0.40
HTR1B P28222 11/20 0.40
DRD2 P14416 5/20 0.40
HTR7 P34969 5/20 0.40
DRD3 P35462 5/20 0.40
HTR2A P28223 4/20 0.40
HTR2B P41595 4/20 0.40
KCNH2 Q12809 3/20 0.40
HTR2C P28335 3/20 0.40
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR6 P50406 2/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5143901 0.75 PIK3CA (0.41) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL4966895 0.74 PIK3CA (0.41) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL4966471 0.72 PIK3CA (0.38) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL3043425 0.72 PIK3CA (0.40) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL402796 0.70 HTR1A (0.55) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL401272 0.70 HTR1A (0.53) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL3736977 0.70 PIK3CA (0.46) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL400515 0.70 NPSR1 (0.41) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL3738615 0.69 NAMPT (0.49) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL3734029 0.68 NAMPT (0.47) HTR1AHTR1DHTR1BDRD2HTR7

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 44 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-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
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP 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
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 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 PIK3CA 4067/4885PIK3CD 2975/4885PIK3R1 4057/4885
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 PIK3CA 3286/4885PIK3CD 2071/4885PIK3R1 3239/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885PIK3CD 2382/4885PIK3R1 3774/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885PIK3CD 2382/4885PIK3R1 3774/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885PIK3CD 2382/4885PIK3R1 3774/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 PIK3CA 2144/4885PIK3CD 2476/4885PIK3R1 2473/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885PIK3CD 2382/4885PIK3R1 3774/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885PIK3CD 2382/4885PIK3R1 3774/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885PIK3CD 2382/4885PIK3R1 3774/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885PIK3CD 2382/4885PIK3R1 3774/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 PIK3CA 3564/4885PIK3CD 2382/4885PIK3R1 3774/4885

“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.