SCHEMBL3313490

SCHEMBL3313490

COc1cccc(Cc2c([CH]C(C)C(=O)NCCCN)oc3cc(F)ccc3c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
MCHR1 Q99705 3/20 0.44
MTNR1A P48039 7/20 0.39
MTNR1B P49286 7/20 0.39
VKORC1 Q9BQB6 1/20 0.38
FPR1 P21462 2/20 0.38
ROCK2 O75116 1/20 0.37
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL3269848 0.91 KIF11 (0.43) KCNH2MTNR1AMTNR1BVKORC1FPR1
SCHEMBL3268105 0.90 KCNH2 (0.42) KCNH2MCHR1MTNR1AMTNR1BALDH1A1
SCHEMBL3270266 0.90 KCNH2 (0.42) KCNH2MCHR1MTNR1AMTNR1BALDH1A1
SCHEMBL3269662 0.89 RAB9A (0.39) MTNR1AMTNR1BVKORC1CNR2ALDH1A1
SCHEMBL3268474 0.87 MAOB (0.35) KCNH2MCHR1MTNR1AMTNR1BROCK2
SCHEMBL3273253 0.86 MAOB (0.41) MTNR1AMTNR1BVKORC1ALDH1A1LMNA
SCHEMBL4795823 0.81 ASAH1 (0.37) KCNH2MCHR1MTNR1AMTNR1B
SCHEMBL3271211 0.80 MAOB (0.36) KCNH2MTNR1AMTNR1BROCK2
SCHEMBL3271190 0.80 KIF11 (0.53) KCNH2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL3313494 0.79 KCNH2 (0.43) KCNH2MCHR1MTNR1AMTNR1BVKORC1

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 20 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
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
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 KCNH2 3954/4885MCHR1 3435/4885MTNR1A 3077/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KCNH2 955/4885MCHR1 4365/4885MTNR1A 4480/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885MCHR1 4421/4885MTNR1A 3215/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885MCHR1 4421/4885MTNR1A 3215/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885MCHR1 4421/4885MTNR1A 3215/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885MCHR1 4421/4885MTNR1A 3215/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885MCHR1 4421/4885MTNR1A 3215/4885

“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.