SCHEMBL401481

SCHEMBL401481

Cc1ccc(NC(=O)Nc2cc(CN3CCN(C(=O)C(C)C)CC3)ccc2F)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.44
FAAH O00519 8/20 0.43
CHRNA7 P36544 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
CCR3 P51677 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
LTA4H P09960 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1A P35348 1/20 0.40
ALDH1A2 O94788 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL402276 0.91 MEN1 (0.46) FAAHCHRNA7KCNQ3KCNQ2MAPK8
SCHEMBL3204614 0.90 FAAH (0.45) FAAHCHRNA7KCNQ3KCNQ2CCR3
SCHEMBL7859143 0.89 FAAH (0.44) FAAHCHRNA7KCNQ3KCNQ2CCR3
SCHEMBL29714042 0.89 RAB9A (0.45) FAAHCHRNA7KCNQ3KCNQ2MAPK8
SCHEMBL400815 0.89 RAB9A (0.45) FAAHCHRNA7KCNQ3KCNQ2MAPK8
SCHEMBL400430 0.89 KCNQ3 (0.41) FAAHCHRNA7KCNQ3KCNQ2MAPK8
SCHEMBL402352 0.88 FAAH (0.43) FAAHCHRNA7KCNQ3KCNQ2MAPK8
SCHEMBL402862 0.87 ALDH1A1 (0.46) FAAHDRD2ALDH1A1NPC1TP53
SCHEMBL399180 0.85 TBK1 (0.46) FAAHCHRNA7MAPK8MAPK10NPC1
SCHEMBL400743 0.85 KDR (0.49) KITKDRFLT3ALDH1A1NPC1

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 49 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
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 (10 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 MTNR1B 2028/4885FAAH 4811/4885CHRNA7 2412/4885
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 MTNR1B 3499/4885FAAH 4661/4885CHRNA7 2892/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MTNR1B 3067/4885FAAH 4697/4885CHRNA7 2149/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 MTNR1B 3067/4885FAAH 4697/4885CHRNA7 2149/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MTNR1B 3067/4885FAAH 4697/4885CHRNA7 2149/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MTNR1B 3067/4885FAAH 4697/4885CHRNA7 2149/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 MTNR1B 3067/4885FAAH 4697/4885CHRNA7 2149/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 MTNR1B 3067/4885FAAH 4697/4885CHRNA7 2149/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MTNR1B 3067/4885FAAH 4697/4885CHRNA7 2149/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MTNR1B 3067/4885FAAH 4697/4885CHRNA7 2149/4885

“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.