SCHEMBL401272

SCHEMBL401272

Cc1ccc(NC(=O)Nc2cccc(CCN3CCN(S(=O)(=O)N(C)C)CC3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.53
DRD2 P14416 10/20 0.53
HTR1D P28221 15/20 0.52
HTR1B P28222 15/20 0.52
HTR7 P34969 6/20 0.51
DRD3 P35462 6/20 0.51
KCNH2 Q12809 4/20 0.51
HTR6 P50406 2/20 0.51
HTR2A P28223 5/20 0.47
HTR2B P41595 5/20 0.47
HTR2C P28335 4/20 0.47

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
SCHEMBL401714 0.91 ACKR3 (0.49) HTR1ADRD2HTR1DHTR1B
SCHEMBL3734029 0.90 NAMPT (0.47) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL402796 0.90 HTR1A (0.55) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL402402 0.85 HTR1A (0.55) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL10315571 0.85 HTR1A (0.57) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL3210123 0.84 HTR1A (0.60) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL15943544 0.84 HTR1A (0.57) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL401961 0.84 HTR1A (0.57) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL401042 0.83 HTR1A (0.56) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL402096 0.82 CYP1A2 (0.46) HTR1AHTR1DHTR1BKCNH2

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 41 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
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-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 HTR1A 4023/4885DRD2 4660/4885HTR1D 4122/4885
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 HTR1A 2635/4885DRD2 4395/4885HTR1D 2382/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 HTR1A 4023/4885DRD2 4660/4885HTR1D 4122/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 HTR1A 3122/4885DRD2 4712/4885HTR1D 3838/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885HTR1D 3741/4885

“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.