SCHEMBL402016

SCHEMBL402016

CC(=O)N1CCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C#N)nc3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.48
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KDR P35968 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
FAAH O00519 4/20 0.43
PRKAA2 P54646 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NAMPT P43490 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL402283 0.93 CHEK1 (0.51) CHEK1KCNQ3KCNQ2FAAHPRKAA2
SCHEMBL3198406 0.93 CHEK1 (0.46) CHEK1KCNQ3KCNQ2FAAHPRKAA2
SCHEMBL402565 0.91 CHEK1 (0.47) CHEK1KCNQ3KCNQ2KDRALDH1A1
SCHEMBL401273 0.89 CHEK1 (0.46) CHEK1KCNQ3KCNQ2FAAHPRKAA2
SCHEMBL401274 0.88 CHEK1 (0.45) CHEK1KCNQ3KCNQ2FAAHPRKAA2
SCHEMBL402276 0.87 MEN1 (0.46) KCNQ3KCNQ2MEN1KMT2AATM
SCHEMBL398486 0.86 KDR (0.43) CHEK1KCNQ3KCNQ2KDRMEN1
SCHEMBL3214080 0.81 PRKAA2 (0.46) FAAHPRKAA2POLBNPC1TP53
SCHEMBL3204614 0.80 FAAH (0.45) KCNQ3KCNQ2FAAHPRKAA2POLB
SCHEMBL402321 0.80 PRKAA2 (0.46) FAAHPRKAA2NPC1TP53ALOX15

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
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-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-10385023-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2019-08-20 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
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 (13 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 CHEK1 1935/4885KCNQ3 3060/4885KCNQ2 2435/4885
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 2918/4885KCNQ3 3612/4885KCNQ2 3389/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 CHEK1 1935/4885KCNQ3 3060/4885KCNQ2 2435/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CHEK1 358/4885KCNQ3 4642/4885KCNQ2 4428/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 CHEK1 2194/4885KCNQ3 3001/4885KCNQ2 2819/4885

“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.