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Sugi Predict / Compounds / SCHEMBL401194

SCHEMBL401194

SCHEMBL401194

CCS(=O)(=O)N(C)[C@@H]1CCCN(Cc2cc(F)cc(NN(C=O)c3cccnc3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SCN8A Q9UQD0 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL401885 0.92 CYP1A2 (0.36) ROCK2CYP3A4ALDH1A1CYP1A2KMT2A
SCHEMBL399095 0.90 ADRB2 (0.36) ALDH1A1SCN8ASCN1APOLB
SCHEMBL401744 0.82 ADRB2 (0.36) ALDH1A1SCN8ASCN1APOLB
SCHEMBL402888 0.78 CYP1A2 (0.52) UBE2MDCUN1D1CYP1A2NAMPTKMT2A
SCHEMBL397384 0.75 CYP1A2 (0.54) UBE2MDCUN1D1CYP1A2NAMPT
SCHEMBL397383 0.75 CYP1A2 (0.54) UBE2MDCUN1D1CYP1A2NAMPT
SCHEMBL401479 0.73 CYP1A2 (0.51) ALDH1A1UBE2MDCUN1D1CYP1A2NAMPT
SCHEMBL401975 0.70 CYP1A2 (0.41) UBE2MDCUN1D1CYP1A2SCN8ASCN1A
SCHEMBL436307 0.70 CYP1A2 (0.56) UBE2MDCUN1D1CYP1A2NAMPT
SCHEMBL402800 0.69 CYP1A2 (0.51) CYP1A2NAMPTKMT2AMEN1

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 47 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 claimed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 — — US claimed
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 — — US claimed
EP-2862859-A2 Compounds, compositions and methods Cytokinetics, Inc. (US) 2015-04-22 — — EP claimed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 — — US claimed
US-8110595-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2012-02-07 — — US claimed
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 — — EP claimed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 — — US claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 — — EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 — — WO claimed
US-12264133-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2025-04-01 — — US disclosed
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 — — US disclosed
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-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
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 — — EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 — — WO 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 (11 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 ROCK2 272/4885CYP3A4 4449/4885ALDH1A1 3619/4885
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 ROCK2 569/4885CYP3A4 4778/4885ALDH1A1 4250/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ROCK2 284/4885CYP3A4 4703/4885ALDH1A1 4381/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ROCK2 284/4885CYP3A4 4703/4885ALDH1A1 4381/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ROCK2 284/4885CYP3A4 4703/4885ALDH1A1 4381/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 ROCK2 2113/4885CYP3A4 4382/4885ALDH1A1 4108/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ROCK2 284/4885CYP3A4 4703/4885ALDH1A1 4381/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ROCK2 284/4885CYP3A4 4703/4885ALDH1A1 4381/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 ROCK2 284/4885CYP3A4 4703/4885ALDH1A1 4381/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ROCK2 284/4885CYP3A4 4703/4885ALDH1A1 4381/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ROCK2 284/4885CYP3A4 4703/4885ALDH1A1 4381/4885

“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.