SCHEMBL3269903

SCHEMBL3269903

CC(C)C(NCCCN)c1oc2cc(C#N)ccc2c(=O)c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSD17B3 P37058 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
ACP1 P24666 3/20 0.37
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
DPP4 P27487 2/20 0.34
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.34
ESR1 P03372 1/20 0.33
AR P10275 1/20 0.33
NQO1 P15559 1/20 0.33
STS P08842 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3269731 1.00 KIF11 (0.45) KIF11KCNH2KDM4ENPSR1HSD17B3
SCHEMBL3271216 0.94 KIF11 (0.39) KIF11KCNH2GLAMAOBMAOA
SCHEMBL3269665 0.89 VKORC1 (0.39) KIF11KCNH2ALDH1A1MAOBMEN1
SCHEMBL3275576 0.87 KIF11 (0.47) KIF11KCNH2MAOBMAOA
SCHEMBL3268480 0.87 KCNH2 (0.37) KIF11KCNH2GLADPP4MAOB
SCHEMBL3269493 0.86 KCNH2 (0.46) KIF11KCNH2KDM4ENPSR1HSD17B3
SCHEMBL3270268 0.86 KCNH2 (0.46) KIF11KCNH2KDM4ENPSR1HSD17B3
SCHEMBL3271196 0.86 KIF11 (0.58) KIF11KCNH2KDM4ENPSR1HSD17B3
SCHEMBL3273254 0.86 MAOB (0.43) KIF11KCNH2KDM4EALDH1A1MAOB
SCHEMBL3313396 0.82 KIF11 (0.36) KIF11KCNH2KDM4EGAAKMT2A

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 21 patents — showing the first 20. 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-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
EP-1511734-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-05-10 EP 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
EP-1511734-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-09 EP disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 US disclosed
WO-2003088903-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-10-30 WO 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 KIF11 525/4885KCNH2 3954/4885KDM4E 2220/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KIF11 20/4885KCNH2 955/4885KDM4E 2131/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885KDM4E 1983/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885KDM4E 1983/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885KDM4E 1983/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885KDM4E 1983/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885KDM4E 1983/4885

“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.