SCHEMBL3268474

SCHEMBL3268474

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
KCNH2 Q12809 5/20 0.34
KIF11 P52732 1/20 0.34
ROCK2 O75116 1/20 0.33
MCHR1 Q99705 4/20 0.33
MAP2K1 Q02750 3/20 0.33
RAF1 P04049 2/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PARP1 P09874 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
IDH1 O75874 1/20 0.32
ESR1 P03372 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MCHR2 Q969V1 1/20 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
SCHEMBL3271211 0.94 MAOB (0.36) MAOBKCNH2KIF11ROCK2MAP2K1
SCHEMBL3275574 0.91 KIF11 (0.43) MAOBKCNH2KIF11ROCK2MAP2K1
SCHEMBL3273253 0.90 MAOB (0.41) MAOBMAP2K1MTNR1AMTNR1B
SCHEMBL3270266 0.89 KCNH2 (0.42) KCNH2KIF11MCHR1ESR1MTNR1A
SCHEMBL3268105 0.89 KCNH2 (0.42) KCNH2KIF11MCHR1ESR1MTNR1A
SCHEMBL3269729 0.88 KIF11 (0.40) KCNH2KIF11MAP2K1MTNR1AMTNR1B
SCHEMBL3269900 0.88 KIF11 (0.40) KCNH2KIF11MAP2K1MTNR1AMTNR1B
SCHEMBL3313490 0.87 KCNH2 (0.44) KCNH2ROCK2MCHR1MTNR1AMTNR1B
SCHEMBL3269662 0.87 RAB9A (0.39) MAOBMTNR1AMTNR1B
SCHEMBL4795823 0.81 ASAH1 (0.37) KCNH2KIF11MCHR1ESR1MTNR1A

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 MAOB 3665/4885KCNH2 3954/4885KIF11 525/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 MAOB 3682/4885KCNH2 955/4885KIF11 20/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 MAOB 2109/4885KCNH2 2582/4885KIF11 824/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 MAOB 2109/4885KCNH2 2582/4885KIF11 824/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 MAOB 2109/4885KCNH2 2582/4885KIF11 824/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 MAOB 2109/4885KCNH2 2582/4885KIF11 824/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 MAOB 2109/4885KCNH2 2582/4885KIF11 824/4885

“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.