Sugi Predict

Sugi Predict / Compounds / SCHEMBL546072

SCHEMBL546072

SCHEMBL546072

Cc1ccc(NC(=O)Nc2ccc(F)c(CN3CCN(C(=O)O)CC3)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ MAPK8 P45983 4/20 0.39
▸ MAPK10 P53779 4/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ DDX3X O00571 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL402372 0.91 ALDH1A1 (0.44) KCNQ3KCNQ2ROCK2LIMK1RORC
SCHEMBL3204614 0.85 FAAH (0.45) KCNQ3KCNQ2MAPK8MAPK10NPC1
SCHEMBL3196731 0.85 RORC (0.50) RORCDHODHMAPK8MAPK10NPSR1
SCHEMBL3196744 0.84 FAAH (0.40) KCNQ3KCNQ2ROCK2LIMK1MAPK8
SCHEMBL3215364 0.83 KCNQ3 (0.45) KCNQ3KCNQ2RORCDHODHMAPK8
SCHEMBL3210260 0.83 RORC (0.44) KCNQ3KCNQ2ROCK2LIMK1RORC
SCHEMBL3190635 0.83 NPSR1 (0.43) KCNQ3KCNQ2RORCDHODHMAPK8
SCHEMBL3211043 0.83 RORC (0.43) KCNQ3KCNQ2ROCK2LIMK1RORC
SCHEMBL3206886 0.80 RORC (0.61) RORCDHODHNPSR1NPC1RAB9A
SCHEMBL3209060 0.80 NPSR1 (0.43) KCNQ3KCNQ2ROCK2LIMK1RORC

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-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 — — 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 (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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 KCNQ3 3060/4885KCNQ2 2435/4885ROCK2 272/4885
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 KCNQ3 3612/4885KCNQ2 3389/4885ROCK2 569/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 KCNQ3 3060/4885KCNQ2 2435/4885ROCK2 272/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 KCNQ3 4642/4885KCNQ2 4428/4885ROCK2 2113/4885
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 KCNQ3 3060/4885KCNQ2 2435/4885ROCK2 272/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 KCNQ3 3001/4885KCNQ2 2819/4885ROCK2 284/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 KCNQ3 4642/4885KCNQ2 4428/4885ROCK2 2113/4885

“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.