SCHEMBL3268480

SCHEMBL3268480

CC(C)C(NCCCN)c1oc2cc(F)ccc2c(=O)c1Cc1cccc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
KIF11 P52732 1/20 0.37
MAOB P27338 5/20 0.37
PARP1 P09874 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
IDH1 O75874 1/20 0.32
MAPK14 Q16539 1/20 0.32
MAOA P21397 3/20 0.32
NQO1 P15559 1/20 0.31
GLA P06280 1/20 0.31
MCHR1 Q99705 1/20 0.31
ACHE P22303 2/20 0.31

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
SCHEMBL3271216 0.93 KIF11 (0.39) KCNH2KIF11MAOBIDH1MAOA
SCHEMBL3275576 0.90 KIF11 (0.47) KCNH2KIF11MAOBIDH1MAOA
SCHEMBL3273254 0.89 MAOB (0.43) KCNH2KIF11MAOBMAOANQO1
SCHEMBL3269493 0.88 KCNH2 (0.46) KCNH2KIF11MAOBNQO1GLA
SCHEMBL3270268 0.88 KCNH2 (0.46) KCNH2KIF11MAOBNQO1GLA
SCHEMBL3269731 0.87 KIF11 (0.45) KCNH2KIF11MAOBDPP4MAOA
SCHEMBL3269903 0.87 KIF11 (0.45) KCNH2KIF11MAOBDPP4MAOA
SCHEMBL3313494 0.86 KCNH2 (0.43) KCNH2KIF11MAOBMCHR1ACHE
SCHEMBL3269665 0.85 VKORC1 (0.39) KCNH2KIF11MAOBACHE
SCHEMBL5778421 0.81 KCNH2 (0.39) KCNH2KIF11MAOBPARP1PARP3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 US claimed
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 EP claimed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 WO claimed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2012-08-16 US disclosed
EP-1511734-B1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2010-06-23 EP disclosed
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-29 US disclosed
US-7629477-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-12-08 US disclosed
US-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 US disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 US disclosed
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 EP disclosed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 WO disclosed
US-20060020008-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2006-01-26 US disclosed
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 US disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 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 (7 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-20060020008-A1 Treating cell proliferation disorder, anticancer agents MKI67, PCNA, TK1 KCNH2 3954/4885KIF11 525/4885MAOB 3665/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KCNH2 955/4885KIF11 20/4885MAOB 3682/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885MAOB 2109/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885MAOB 2109/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885MAOB 2109/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885MAOB 2109/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885MAOB 2109/4885

“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.