SCHEMBL398788

SCHEMBL398788

CCS(=O)(=O)CNC1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(F)cc3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
EPHX2 P34913 1/20 0.45
CCR3 P51677 5/20 0.45
UBE2M P61081 2/20 0.45
DCUN1D1 Q96GG9 2/20 0.45
ACKR3 P25106 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
SSTR5 P35346 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL399933 0.90 ACKR3 (0.42) RECQLALDH1A1KMT2APOLBCCR3
SCHEMBL398805 0.89 RECQL (0.47) RECQLALDH1A1KMT2APOLBEPHX2
SCHEMBL401480 0.86 CYP1A2 (0.48) ALDH1A1KMT2APOLBEPHX2CCR3
SCHEMBL402406 0.86 RECQL (0.49) RECQLALDH1A1EPHX2CCR3UBE2M
SCHEMBL401976 0.85 CCR3 (0.43) RECQLALDH1A1KMT2APOLBCCR3
SCHEMBL398787 0.82 RECQL (0.46) RECQLALDH1A1KMT2APOLBCCR3
SCHEMBL402333 0.81 RAB9A (0.48) RECQLALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL402889 0.81 CYP1A2 (0.49) ALDH1A1KMT2APOLBEPHX2CCR3
SCHEMBL401418 0.80 RECQL (0.44) RECQLALDH1A1KMT2APOLBCCR3
SCHEMBL398804 0.80 ACKR3 (0.44) RECQLALDH1A1KMT2APOLBCCR3

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 46 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-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 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
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 RECQL 1419/4885ALDH1A1 3619/4885KMT2A 4052/4885
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 RECQL 3775/4885ALDH1A1 4250/4885KMT2A 2999/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 RECQL 1485/4885ALDH1A1 4381/4885KMT2A 4396/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 RECQL 1485/4885ALDH1A1 4381/4885KMT2A 4396/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 RECQL 1485/4885ALDH1A1 4381/4885KMT2A 4396/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 RECQL 2055/4885ALDH1A1 4108/4885KMT2A 4149/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 RECQL 1485/4885ALDH1A1 4381/4885KMT2A 4396/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 RECQL 1485/4885ALDH1A1 4381/4885KMT2A 4396/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 RECQL 1485/4885ALDH1A1 4381/4885KMT2A 4396/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 RECQL 1485/4885ALDH1A1 4381/4885KMT2A 4396/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 RECQL 1485/4885ALDH1A1 4381/4885KMT2A 4396/4885

“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.