Sugi Predict

Sugi Predict / Compounds / SCHEMBL645288

SCHEMBL645288

SCHEMBL645288

CC(C)C(c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1)N1CCN=C1c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.44
▸ KIF11 P52732 1/20 0.44
▸ EDNRA P25101 2/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ ACP1 P24666 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HTR1A P08908 1/20 0.33

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
SCHEMBL644186 0.91 KCNH2 (0.35) KCNH2KIF11EDNRAEDNRBMCHR1
SCHEMBL643780 0.91 CYP1A2 (0.39) KCNH2KIF11EDNRAEDNRBLMNA
SCHEMBL644184 0.90 CYP1A2 (0.45) KCNH2EDNRAEDNRBMCHR1LMNA
SCHEMBL646147 0.89 KCNH2 (0.37) KCNH2KIF11MCHR1LMNAACP1
SCHEMBL644779 0.88 KIF11 (0.54) KCNH2KIF11ESR1ESR2CYP19A1
SCHEMBL647711 0.87 KIF11 (0.47) KCNH2KIF11ESR1ESR2CYP19A1
SCHEMBL6479580 0.83 GSK3A (0.39) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL13309259 0.82 CYP1A2 (0.38) EDNRAEDNRBLMNAPDE5ANPC1
SCHEMBL646432 0.82 GSK3A (0.37) KCNH2MCHR1PDE5AALDH1A1MAPT
SCHEMBL646932 0.81 CYP1A2 (0.41) KCNH2EDNRAEDNRBMCHR1LMNA

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 KCNH2 3954/4885KIF11 525/4885EDNRA 3123/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KCNH2 955/4885KIF11 20/4885EDNRA 4324/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885EDNRA 2546/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885EDNRA 2546/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885EDNRA 2546/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885EDNRA 2546/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885KIF11 824/4885EDNRA 2546/4885

“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.