Sugi Predict

Sugi Predict / Compounds / SCHEMBL3203666

SCHEMBL3203666

SCHEMBL3203666

O=C(Nc1cccnc1)Nc1cc(CN2CCN(C(=O)O)CC2)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.59
▸ CYP2D6 P10635 1/20 0.54
▸ AURKA O14965 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ HTR1A P08908 2/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ GRIK1 P39086 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL401198 0.90 FAAH (0.57) FAAHCYP2D6AURKACDK1CCNB1
SCHEMBL3201395 0.89 FAAH (0.47) FAAHCYP2D6TP53ALDH1A1
SCHEMBL402216 0.88 FAAH (0.55) FAAHCYP2D6AURKACDK1CCNB1
SCHEMBL3198483 0.87 FAAH (0.45) FAAHCYP2D6TP53ALDH1A1
SCHEMBL402683 0.86 FAAH (0.52) FAAHCYP2D6AURKACDK1CCNB1
SCHEMBL3214823 0.86 FAAH (0.62) FAAHCYP2D6HTR1ADRD2HTT
SCHEMBL3204614 0.85 FAAH (0.45) FAAHTP53
SCHEMBL3189494 0.84 FAAH (0.56) FAAHCYP2D6HTR1ADRD2MEN1
SCHEMBL3198716 0.84 MEN1 (0.55) FAAHCYP2D6HTR1ADRD2MEN1
SCHEMBL402288 0.83 CYP1A2 (0.51) FAAHCYP2D6AURKACDK1CCNB1

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-8871768-B2 Certain chemical entities, compositions and methods 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 4384/4885CYP2D6 4135/4885AURKA 4188/4885
US-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885CYP2D6 4425/4885AURKA 4093/4885
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 4661/4885CYP2D6 4659/4885AURKA 3546/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 FAAH 3155/4885CYP2D6 4243/4885AURKA 4521/4885
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885CYP2D6 4425/4885AURKA 4093/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885CYP2D6 4551/4885AURKA 4307/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 FAAH 3155/4885CYP2D6 4243/4885AURKA 4521/4885

“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.