SCHEMBL402615

SCHEMBL402615

O=C(Nc1ccc(F)cc1)Nc1cc(F)cc(CN2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.63
RAB9A P51151 7/20 0.63
LMNA P02545 1/20 0.59
ATM Q13315 2/20 0.57
EPHX2 P34913 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 1/20 0.50
HIF1A Q16665 2/20 0.49
EPAS1 Q99814 2/20 0.49
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
HTT P42858 1/20 0.49
FAAH O00519 1/20 0.48

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
SCHEMBL401660 0.87 NPC1 (0.49) NPC1RAB9ALMNAATMEPHX2
SCHEMBL28312306 0.84 NPC1 (0.55) NPC1RAB9ALMNAEPHX2SMN1; SMN2
SCHEMBL3201236 0.84 FAAH (0.56) NPC1RAB9AEPHX2TP53FAAH
SCHEMBL545074 0.83 EPHX2 (0.56) NPC1RAB9ALMNAEPHX2SMN1; SMN2
SCHEMBL402933 0.82 NPC1 (0.63) NPC1RAB9ALMNAATMEPHX2
SCHEMBL402333 0.81 RAB9A (0.48) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL401754 0.81 FAAH (0.53) NPC1RAB9AEPHX2SMN1; SMN2TP53
SCHEMBL402896 0.79 CCR3 (0.49) ALDH1A1MEN1KMT2AFAAH
SCHEMBL398515 0.79 MAP4K4 (0.47) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL16628043 0.77 HIF1A (0.69) NPC1RAB9AEPHX2SMN1; SMN2TP53

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
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-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
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 (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 NPC1 4691/4885RAB9A 3170/4885LMNA 410/4885
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 NPC1 4804/4885RAB9A 2091/4885LMNA 681/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 NPC1 4608/4885RAB9A 2773/4885LMNA 187/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 NPC1 4608/4885RAB9A 2773/4885LMNA 187/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 NPC1 4608/4885RAB9A 2773/4885LMNA 187/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NPC1 4691/4885RAB9A 3170/4885LMNA 410/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 NPC1 4826/4885RAB9A 3510/4885LMNA 80/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 NPC1 4608/4885RAB9A 2773/4885LMNA 187/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 NPC1 4608/4885RAB9A 2773/4885LMNA 187/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 NPC1 4608/4885RAB9A 2773/4885LMNA 187/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 NPC1 4608/4885RAB9A 2773/4885LMNA 187/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 NPC1 4608/4885RAB9A 2773/4885LMNA 187/4885

“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.