SCHEMBL3269848

SCHEMBL3269848

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
KCNH2 Q12809 1/20 0.43
IDO1 P14902 1/20 0.41
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
VKORC1 Q9BQB6 1/20 0.38
FPR1 P21462 3/20 0.38
FPR2 P25090 2/20 0.38
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37
SNCA P37840 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL3313490 0.91 KCNH2 (0.44) KCNH2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL3271190 0.90 KIF11 (0.53) KIF11KCNH2MTNR1AMTNR1BCYP19A1
SCHEMBL3269662 0.89 RAB9A (0.39) MTNR1AMTNR1BCYP19A1ALDH1A1LMNA
SCHEMBL3275574 0.87 KIF11 (0.43) KIF11KCNH2ALDH1A1LMNAMAPT
SCHEMBL3273253 0.86 MAOB (0.41) MTNR1AMTNR1BCYP19A1ALDH1A1LMNA
SCHEMBL3271211 0.80 MAOB (0.36) KIF11KCNH2IDO1MTNR1AMTNR1B
SCHEMBL3270266 0.80 KCNH2 (0.42) KIF11KCNH2MTNR1AMTNR1BALDH1A1
SCHEMBL3268105 0.80 KCNH2 (0.42) KIF11KCNH2MTNR1AMTNR1BALDH1A1
SCHEMBL3269852 0.79 KIF11 (0.48) KIF11KCNH2IDO1MTNR1AMTNR1B
SCHEMBL3268474 0.78 MAOB (0.35) KIF11KCNH2MTNR1AMTNR1B

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 3954/4885IDO1 4475/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KIF11 20/4885KCNH2 955/4885IDO1 4294/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885IDO1 4614/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885IDO1 4614/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885IDO1 4614/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885IDO1 4614/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885IDO1 4614/4885

“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.