Sugi Predict

Sugi Predict / Compounds / SCHEMBL3214823

SCHEMBL3214823

SCHEMBL3214823

O=C(Nc1cccnc1)Nc1cccc(CN2CCN(C(=O)O)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.62
▸ HTR1A P08908 2/20 0.62
▸ DRD2 P14416 2/20 0.62
▸ CYP2D6 P10635 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ HTT P42858 2/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.51
▸ CCR3 P51677 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL400368 0.88 FAAH (0.59) FAAHHTR1ADRD2CYP2D6ALDH1A1
SCHEMBL3189494 0.87 FAAH (0.56) FAAHHTR1ADRD2CYP2D6ALDH1A1
SCHEMBL3198046 0.86 ACKR3 (0.52) FAAHHTR1ADRD2KDM4ECCR3
SCHEMBL3203666 0.86 FAAH (0.59) FAAHHTR1ADRD2CYP2D6ALDH1A1
SCHEMBL398416 0.84 HTR1A (0.56) FAAHHTR1ADRD2CYP2D6ALDH1A1
SCHEMBL3198716 0.83 MEN1 (0.55) FAAHHTR1ADRD2CYP2D6ALDH1A1
SCHEMBL402629 0.81 HTR1A (0.54) FAAHHTR1ADRD2CYP2D6ALDH1A1
SCHEMBL6103374 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EHTTMAPT
SCHEMBL13806645 0.80 FAAH (0.76) FAAHCYP2D6KDM4ENPC1MAPT
SCHEMBL2196594 0.80 FAAH (0.72) FAAHCYP2D6

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 25 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 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-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 4384/4885HTR1A 3990/4885DRD2 4671/4885
US-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885HTR1A 4023/4885DRD2 4660/4885
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 4661/4885HTR1A 2635/4885DRD2 4395/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 FAAH 3155/4885HTR1A 3122/4885DRD2 4712/4885
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 FAAH 4811/4885HTR1A 4023/4885DRD2 4660/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 FAAH 4697/4885HTR1A 3992/4885DRD2 4679/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 FAAH 3155/4885HTR1A 3122/4885DRD2 4712/4885

“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.