SCHEMBL646005

SCHEMBL646005

[CH](CCN1CCOCC1)CCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.45
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 2/20 0.38
DAO P14920 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL15515228 0.88 KDM4E (0.45) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL27160143 0.86 ALDH1A1 (0.43) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL6408637 0.85 KEAP1 (0.58) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL5319576 0.84 KEAP1 (0.47) KDM4ESMN1; SMN2KEAP1ALDH1A1HPGD
SCHEMBL235080 0.83 KDM4E (0.65) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL11333121 0.81 TDP1 (0.41) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL11270767 0.81 HRH3 (0.40) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL2595940 0.80 KDM4E (0.46) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL21623672 0.80 KDM4E (0.46) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA
SCHEMBL5345779 0.80 KDM4E (0.46) KDM4ESMN1; SMN2KEAP1ALDH1A1GLA

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692112-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP claimed
EP-1594849-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2007-07-04 EP claimed
US-20070149500-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
EP-1692112-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-08-23 EP claimed
EP-1686120-A2 Methods and compositions utilizing quinazolinones Cytokinetics, Inc. (US) 2006-08-02 EP claimed
EP-1594849-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-11-16 EP claimed
US-20050234037-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-10-20 US claimed
WO-2005061460-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-07-07 WO claimed
WO-2004064741-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC. (US) 2004-08-05 WO claimed
WO-2001030768-A9 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS INC (US) 2002-08-15 WO claimed
EP-1226129-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2002-07-31 EP claimed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 WO claimed
US-8658656-B2 Methods and compositions utilizing quinazolinones CYTOKINETICS, INC. (US) 2014-02-25 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-8470838-B2 Quinazolinones useful for treating cellular proliferative diseases and disorders associated with KSP kinesin activity; N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide monomethanesulfonate; treating breast cancer CYTOKINETICS, INCORPORATED (US) 2013-06-25 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-6562831-B1 Inhibitors of the mitotic kinesin KSP and are useful in the treatment of cellular proliferative diseases CYTOKINETICS, INC. 2003-05-13 US disclosed
US-6545004-B1 Treating cellular proliferative diseases and disorders associated with KSP kinesin activity. CYTOKINETICS, INC. 2003-04-08 US disclosed
EP-1226129-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2002-07-31 EP disclosed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 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 (3 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-20070149500-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KDM4E 1780/4885SMN1; SMN2 2221/4885KEAP1 1859/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KDM4E 1983/4885SMN1; SMN2 2102/4885KEAP1 2271/4885
US-20050234037-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KDM4E 1780/4885SMN1; SMN2 2221/4885KEAP1 1859/4885

“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.