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Sugi Predict / Compounds / SCHEMBL644186

SCHEMBL644186

SCHEMBL644186

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MCHR2 Q969V1 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ACP1 P24666 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PTAFR P25105 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL645288 0.91 KCNH2 (0.44) KCNH2PDE5AKIF11MCHR1MEN1
SCHEMBL646432 0.90 GSK3A (0.37) KCNH2PDE5ACYP3A4MCHR2MCHR1
SCHEMBL644184 0.90 CYP1A2 (0.45) KCNH2PDE5ACYP3A4MCHR1LMNA
SCHEMBL646147 0.89 KCNH2 (0.37) KCNH2KIF11MCHR1LMNAACP1
SCHEMBL644181 0.88 KCNH2 (0.43) KCNH2KIF11MCHR1MEN1KMT2A
SCHEMBL643964 0.88 KCNH2 (0.39) KCNH2KIF11MCHR1ACP1KDM4E
SCHEMBL6479580 0.83 GSK3A (0.39) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL643780 0.82 CYP1A2 (0.39) KCNH2PDE5AKIF11CYP3A4LMNA
SCHEMBL13309259 0.82 CYP1A2 (0.38) PDE5ACYP3A4LMNANPC1RAB9A
SCHEMBL643824 0.81 CYP1A2 (0.38) KCNH2PDE5ACYP3A4MCHR1LMNA

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 3954/4885PDE5A 3639/4885KIF11 525/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KCNH2 955/4885PDE5A 2564/4885KIF11 20/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885PDE5A 3219/4885KIF11 824/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KCNH2 2582/4885PDE5A 3219/4885KIF11 824/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885PDE5A 3219/4885KIF11 824/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885PDE5A 3219/4885KIF11 824/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KCNH2 2582/4885PDE5A 3219/4885KIF11 824/4885

“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.