SCHEMBL3198406

SCHEMBL3198406

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
FAAH O00519 8/20 0.43
PRKAA2 P54646 1/20 0.41
CCR3 P51677 2/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL402016 0.93 CHEK1 (0.48) CHEK1KCNQ3KCNQ2FAAHPRKAA2
SCHEMBL402283 0.91 CHEK1 (0.51) CHEK1KCNQ3KCNQ2FAAHPRKAA2
SCHEMBL402565 0.89 CHEK1 (0.47) CHEK1KCNQ3KCNQ2
SCHEMBL401273 0.87 CHEK1 (0.46) CHEK1KCNQ3KCNQ2FAAHPRKAA2
SCHEMBL401274 0.87 CHEK1 (0.45) CHEK1KCNQ3KCNQ2FAAHPRKAA2
SCHEMBL3204614 0.86 FAAH (0.45) KCNQ3KCNQ2FAAHPRKAA2CCR3
SCHEMBL3207863 0.85 FAAH (0.42) CHEK1KCNQ3KCNQ2FAAHPRKAA2
SCHEMBL3214080 0.84 PRKAA2 (0.46) FAAHPRKAA2CCR3
SCHEMBL3214089 0.84 CHRNA7 (0.46) FAAHPRKAA2CCR3
SCHEMBL3211943 0.84 RAB9A (0.49) FAAHPRKAA2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 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-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 US disclosed
US-10035770-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2018-07-31 US disclosed
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2017-09-21 US disclosed
US-9643925-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2017-05-09 US disclosed
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2016-04-28 US disclosed
US-9150564-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2015-10-06 US disclosed
US-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure CYTOKINETICS, INC. 2012-07-05 US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 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 (17 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-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure TNNI3, TNNT2, MYLK2 CHEK1 2874/4885KCNQ3 3753/4885KCNQ2 3396/4885
US-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 CHEK1 1935/4885KCNQ3 3060/4885KCNQ2 2435/4885
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 CHEK1 2918/4885KCNQ3 3612/4885KCNQ2 3389/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 CHEK1 1935/4885KCNQ3 3060/4885KCNQ2 2435/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CHEK1 358/4885KCNQ3 4642/4885KCNQ2 4428/4885
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 CHEK1 1935/4885KCNQ3 3060/4885KCNQ2 2435/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 CHEK1 358/4885KCNQ3 4642/4885KCNQ2 4428/4885

“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.