Sugi Predict

Sugi Predict / Compounds / SCHEMBL3189494

SCHEMBL3189494

SCHEMBL3189494

O=C(Nc1cccnc1)Nc1cc(F)cc(CN2CCN(C(=O)O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 12/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.53
▸ HTR1A P08908 2/20 0.51
▸ DRD2 P14416 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP1A2 P05177 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL545356 0.91 CYP1A2 (0.56) FAAHTAAR1HTR1ADRD2ALDH1A1
SCHEMBL402066 0.89 FAAH (0.54) FAAHTAAR1HTR1ADRD2ALDH1A1
SCHEMBL402232 0.89 TAAR1 (0.54) FAAHTAAR1HTR1ADRD2ALDH1A1
SCHEMBL400768 0.89 TAAR1 (0.56) FAAHTAAR1HTR1ADRD2ALDH1A1
SCHEMBL29714039 0.89 TAAR1 (0.56) FAAHTAAR1HTR1ADRD2ALDH1A1
SCHEMBL3188068 0.88 HTR1A (0.55) FAAHTAAR1HTR1ADRD2ALDH1A1
SCHEMBL3214823 0.87 FAAH (0.62) FAAHTAAR1HTR1ADRD2ALDH1A1
SCHEMBL400644 0.87 FAAH (0.51) FAAHTAAR1HTR1ADRD2ALDH1A1
SCHEMBL545074 0.87 EPHX2 (0.56) FAAHTAAR1HTR1ADRD2ALDH1A1
SCHEMBL400864 0.86 TAAR1 (0.51) FAAHTAAR1HTR1ADRD2ALDH1A1

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 23 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-8871769-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — 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-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 (16 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 FAAH 4384/4885TAAR1 4240/4885HTR1A 3990/4885
US-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885TAAR1 4458/4885HTR1A 4023/4885
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 FAAH 4661/4885TAAR1 4246/4885HTR1A 2635/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 FAAH 3155/4885TAAR1 2606/4885HTR1A 3122/4885
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885TAAR1 4458/4885HTR1A 4023/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885TAAR1 4657/4885HTR1A 3992/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 FAAH 3155/4885TAAR1 2606/4885HTR1A 3122/4885

“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.