SCHEMBL644716

SCHEMBL644716

Cc1ccc(C2=NCCN2C(c2oc3cc(C#N)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACP1 P24666 3/20 0.34
PTGER3 P43115 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HSD17B3 P37058 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
SDCBP O00560 1/20 0.32
SDC2 P34741 1/20 0.32
NQO1 P15559 1/20 0.31
MAOB P27338 1/20 0.31
ACHE P22303 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL645975 0.91 MAOB (0.33) KIF11KCNH2PTGER3MAOB
SCHEMBL643964 0.90 KCNH2 (0.39) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL646466 0.90 KIF11 (0.42) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL643998 0.90 KIF11 (0.39) KIF11KCNH2PTGER3MAOB
SCHEMBL647711 0.89 KIF11 (0.47) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL645836 0.89 MAOB (0.38) PTGER3MAOBACHECYP19A1
SCHEMBL645511 0.88 CYP19A1 (0.40) KIF11KCNH2KDM4ENPSR1ACHE
SCHEMBL646354 0.87 KIF11 (0.35) KIF11KCNH2ACP1PTPN1KDM4E
SCHEMBL646147 0.87 KCNH2 (0.37) KIF11KCNH2ACP1PTPN1
SCHEMBL643850 0.83 KIF11 (0.35) KIF11KCNH2PTGER3MAOB

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 22 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
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
US-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 US disclosed
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2011-09-22 US disclosed
EP-1511734-B1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2010-06-23 EP 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
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-6864255-B2 Substituted triazinyl amide derivatives and methods of use AMGEN INC. (US) 2005-03-08 US 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
US-20030087908-A1 Substituted triazinyl amide derivatives and methods of use AMGEN INC. 2003-05-08 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 KIF11 525/4885KCNH2 3954/4885ACP1 257/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KIF11 20/4885KCNH2 955/4885ACP1 570/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885ACP1 141/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885ACP1 141/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885ACP1 141/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885ACP1 141/4885
US-20030087908-A1 Substituted triazinyl amide derivatives and methods of use FLT4, FLT1, VEGFA KIF11 4700/4885KCNH2 3975/4885ACP1 2336/4885

“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.