Sugi Predict

Sugi Predict / Compounds / SCHEMBL399487

SCHEMBL399487

SCHEMBL399487

COC(=O)N1CCN(Cc2cc(NC(=O)Nc3ccc(C)nc3)ccc2C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.42
▸ GPR6 P46095 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ AR P10275 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3208049 0.91 AR (0.39) MGLLIMPDH2ARNPC1RAB9A
SCHEMBL403301 0.88 MEN1 (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL401596 0.86 MTNR1B (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL399519 0.86 ALDH1A1 (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL401322 0.82 ALDH1A1 (0.45) GPR6PIK3CAMTORPIK3CDPIK3CB
SCHEMBL398679 0.81 ACKR3 (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL402929 0.80 RORC (0.42) GPR6PIK3CAMTORPIK3CDPIK3CB
SCHEMBL545379 0.80 RORC (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL401732 0.80 NPSR1 (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL30605503 0.79 RORC (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1

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 46 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-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 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-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
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 (10 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 MGLL 3999/4885GPR6 3934/4885PIK3CA 4067/4885
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 MGLL 4501/4885GPR6 2980/4885PIK3CA 3286/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MGLL 4296/4885GPR6 4028/4885PIK3CA 3564/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 MGLL 4296/4885GPR6 4028/4885PIK3CA 3564/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MGLL 4296/4885GPR6 4028/4885PIK3CA 3564/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MGLL 4296/4885GPR6 4028/4885PIK3CA 3564/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 MGLL 4296/4885GPR6 4028/4885PIK3CA 3564/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 MGLL 4296/4885GPR6 4028/4885PIK3CA 3564/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MGLL 4296/4885GPR6 4028/4885PIK3CA 3564/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 MGLL 4296/4885GPR6 4028/4885PIK3CA 3564/4885

“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.