SCHEMBL646432

SCHEMBL646432

CC(C)C(c1oc2cc(F)ccc2c(=O)c1Cc1cccc(C#N)c1)N1CCN=C1c1ccc2c(c1)OCO2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
TGFBR1 P36897 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE5A O76074 1/20 0.34
KCNH2 Q12809 2/20 0.32
MCHR1 Q99705 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CYP3A4 P08684 1/20 0.32
MCHR2 Q969V1 1/20 0.32
CTSL P07711 1/20 0.32
PDCD1 Q15116 6/20 0.32
CD274 Q9NZQ7 6/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.31
PTGER3 P43115 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
SCHEMBL6479580 0.92 GSK3A (0.39) GSK3AGSK3BTGFBR1ALDH1A1ROCK2
SCHEMBL646932 0.91 CYP1A2 (0.41) GSK3AGSK3BTGFBR1ALDH1A1PDE5A
SCHEMBL644186 0.90 KCNH2 (0.35) ALDH1A1PDE5AKCNH2MCHR1CYP3A4
SCHEMBL646147 0.90 KCNH2 (0.37) GSK3AGSK3BALDH1A1KCNH2MCHR1
SCHEMBL643850 0.90 KIF11 (0.35) KCNH2MAOBPTGER3
SCHEMBL645975 0.89 MAOB (0.33) KCNH2MAOBPTGER3
SCHEMBL643824 0.88 CYP1A2 (0.38) PDE5AKCNH2MCHR1CYP3A4MAPT
SCHEMBL643998 0.83 KIF11 (0.39) KCNH2MAOBPTGER3
SCHEMBL645288 0.82 KCNH2 (0.44) ALDH1A1PDE5AKCNH2MCHR1MAPT
SCHEMBL645836 0.82 MAOB (0.38) GSK3BALDH1A1MAPTSMN1; SMN2MAOB

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 24 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
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
US-7919524-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-04-05 US disclosed
EP-1511734-B1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2010-06-23 EP 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 GSK3A 2442/4885GSK3B 2784/4885TGFBR1 4534/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 GSK3A 610/4885GSK3B 635/4885TGFBR1 3882/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 GSK3A 1458/4885GSK3B 1435/4885TGFBR1 4704/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 GSK3A 1458/4885GSK3B 1435/4885TGFBR1 4704/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 GSK3A 1458/4885GSK3B 1435/4885TGFBR1 4704/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 GSK3A 1458/4885GSK3B 1435/4885TGFBR1 4704/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 GSK3A 1458/4885GSK3B 1435/4885TGFBR1 4704/4885

“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.