SCHEMBL3269665

SCHEMBL3269665

COc1cccc(Cc2c(C(NCCCN)C(C)C)oc3cc(C#N)ccc3c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.39
RAB9A P51151 3/20 0.38
CYP19A1 P11511 1/20 0.37
MAOB P27338 2/20 0.37
ACHE P22303 2/20 0.37
KIF11 P52732 1/20 0.37
KCNH2 Q12809 1/20 0.37
CNR2 P34972 4/20 0.36
GPR55 Q9Y2T6 3/20 0.36
CNR1 P21554 3/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
NPC1 O15118 2/20 0.35
BCHE P06276 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3273254 0.94 MAOB (0.43) VKORC1RAB9ACYP19A1MAOBACHE
SCHEMBL3271216 0.92 KIF11 (0.39) RAB9AMAOBKIF11KCNH2NPC1
SCHEMBL3269903 0.89 KIF11 (0.45) MAOBKIF11KCNH2MEN1KMT2A
SCHEMBL3269731 0.89 KIF11 (0.45) MAOBKIF11KCNH2MEN1KMT2A
SCHEMBL3313494 0.88 KCNH2 (0.43) VKORC1RAB9AMAOBACHEKIF11
SCHEMBL3269852 0.88 KIF11 (0.48) VKORC1RAB9ACYP19A1MAOBACHE
SCHEMBL3275576 0.85 KIF11 (0.47) MAOBKIF11KCNH2CNR2CNR1
SCHEMBL3268480 0.85 KCNH2 (0.37) MAOBACHEKIF11KCNH2
SCHEMBL3269662 0.79 RAB9A (0.39) VKORC1RAB9ACYP19A1MAOBACHE
SCHEMBL645151 0.78 KIF11 (0.59) VKORC1RAB9AMAOBACHEKIF11

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 VKORC1 1435/4885RAB9A 2331/4885CYP19A1 996/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 VKORC1 1399/4885RAB9A 3077/4885CYP19A1 1866/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 VKORC1 595/4885RAB9A 3001/4885CYP19A1 857/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 VKORC1 595/4885RAB9A 3001/4885CYP19A1 857/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 VKORC1 595/4885RAB9A 3001/4885CYP19A1 857/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 VKORC1 595/4885RAB9A 3001/4885CYP19A1 857/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 VKORC1 595/4885RAB9A 3001/4885CYP19A1 857/4885

“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.