SCHEMBL399033

SCHEMBL399033

COC(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C#N)nc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.46
PRKAA2 P54646 2/20 0.42
GPR6 P46095 4/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FAAH O00519 4/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL402545 0.93 ALDH1A1 (0.43) CHEK1ALDH1A1
SCHEMBL402376 0.91 PRKAA2 (0.40) CHEK1PRKAA2GPR6FAAHKCNQ3
SCHEMBL398486 0.91 KDR (0.43) CHEK1PRKAA2ALDH1A1FAAHKCNQ3
SCHEMBL402377 0.91 CHEK1 (0.39) CHEK1PRKAA2ALDH1A1FAAHKCNQ3
SCHEMBL3207863 0.90 FAAH (0.42) CHEK1PRKAA2FAAHKCNQ3KCNQ2
SCHEMBL400684 0.87 PIK3CA (0.44) PRKAA2GPR6FAAHPIK3CDPIK3CA
SCHEMBL402283 0.87 CHEK1 (0.51) CHEK1PRKAA2GPR6ALDH1A1CYP3A4
SCHEMBL401754 0.86 FAAH (0.53) PRKAA2FAAH
SCHEMBL402841 0.85 PRKAA2 (0.47) PRKAA2FAAHPIK3CDPIK3CAPIK3CB
SCHEMBL402943 0.84 PIK3CA (0.44) PRKAA2FAAHPIK3CDPIK3CAPIK3CB

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 28 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-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 US 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-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
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 EP disclosed
US-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure CYTOKINETICS, INC. 2012-07-05 US disclosed
US-8101617-B2 Disubstituted ureas and uses thereof in treating heart failure AMGEN, INC. (US) 2012-01-24 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-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-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure TNNI3, TNNT2, MYLK2 CHEK1 2874/4885PRKAA2 2151/4885GPR6 4106/4885
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 CHEK1 2918/4885PRKAA2 658/4885GPR6 2980/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885
US-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885PRKAA2 1298/4885GPR6 4028/4885

“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.