Sugi Predict

Sugi Predict / Compounds / SCHEMBL646006

SCHEMBL646006

SCHEMBL646006

[CH2]CC(CCN1CCOCC1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ USP2 O75604 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ HPGD P15428 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL28884650 0.89 KEAP1 (0.46) KEAP1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL5076677 0.81 KEAP1 (0.48) KEAP1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL619185 0.79 KEAP1 (0.40) KEAP1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10846104 0.78 HRH3 (0.36) ALDH1A1ACHETSHRPOLB
SCHEMBL6408641 0.77 KEAP1 (0.44) KEAP1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL5489928 0.76 HRH3 (0.39) SMN1; SMN2ALDH1A1ACHETSHRPOLB
SCHEMBL15515230 0.76 KEAP1 (0.42) KEAP1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL11179160 0.76 HRH3 (0.39) SMN1; SMN2ALDH1A1ACHETSHRPOLB
SCHEMBL4508119 0.73 POLB (0.38) SMN1; SMN2SLC6A2SLC6A4SLC6A3POLB
SCHEMBL1228027 0.73 KCNH2 (0.40) SMN1; SMN2ALDH1A1HPGDPOLBSIGMAR1

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-20130053408-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES FINER JEFFREY T (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 KEAP1 1859/4885SMN1; SMN2 2221/4885KDM4E 1780/4885
US-20130053408-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES KIF5B, KIF5C, KIF2C KEAP1 1386/4885SMN1; SMN2 1501/4885KDM4E 1216/4885
US-20050234037-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KEAP1 1859/4885SMN1; SMN2 2221/4885KDM4E 1780/4885

“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.