Sugi Predict

Sugi Predict / Compounds / SCHEMBL402528

SCHEMBL402528

SCHEMBL402528

CCS(=O)(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C[C@H]1COC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.48
▸ NAMPT P43490 3/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ FAAH O00519 7/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ CACNA1G O43497 2/20 0.38
▸ CACNA1H O95180 2/20 0.38
▸ CACNA1I Q9P0X4 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL398711 0.91 CYP1A2 (0.54) CYP1A2NAMPTTAAR1FAAHHTR1A
SCHEMBL397923 0.89 CYP1A2 (0.38) CYP1A2NAMPT
SCHEMBL29714046 0.86 CYP1A2 (0.46) CYP1A2NAMPTTAAR1FAAHHTR1A
SCHEMBL3196588 0.86 CYP1A2 (0.46) CYP1A2NAMPTTAAR1FAAHHTR1A
SCHEMBL401653 0.83 CYP1A2 (0.50) CYP1A2NAMPTTAAR1FAAHHTR1A
SCHEMBL23573793 0.81 CYP1A2 (0.42) CYP1A2NAMPTFAAH
SCHEMBL400640 0.80 KDM4E (0.51) CYP1A2NAMPTTAAR1FAAHHTR1A
SCHEMBL399214 0.80 CYP1A2 (0.44) CYP1A2NAMPTPIK3CA
SCHEMBL401157 0.80 CYP1A2 (0.50) CYP1A2NAMPTTAAR1FAAHHTR1A
SCHEMBL23573870 0.79 PIK3CA (0.37) PIK3CAMTOR

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 45 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
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
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 — — EP 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
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 — — 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 (12 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 CYP1A2 4402/4885NAMPT 3645/4885TAAR1 4458/4885
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 CYP1A2 4679/4885NAMPT 4088/4885TAAR1 4246/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 CYP1A2 4402/4885NAMPT 3645/4885TAAR1 4458/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CYP1A2 4662/4885NAMPT 2884/4885TAAR1 2606/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885NAMPT 3383/4885TAAR1 4657/4885

“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.