SCHEMBL583970

SCHEMBL583970

CCOC(=O)c1cn(C2CC2)c2c(OCc3ccccc3)c(F)c(F)cc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
GSK3B P49841 2/20 0.52
STAT3 P40763 2/20 0.47
TOP2A P11388 7/20 0.46
TOP2B Q02880 7/20 0.46
KCNH2 Q12809 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL584832 0.89 GSK3B (0.61) GSK3BTOP2ATOP2BKCNH2KDM4E
SCHEMBL28414684 0.89 ADRB2 (0.61) ADRB2GSK3BSTAT3TOP2ATOP2B
SCHEMBL13355581 0.88 ADRB2 (0.58) ADRB2GSK3BSTAT3TOP2ATOP2B
SCHEMBL13355583 0.87 ADRB2 (0.59) ADRB2GSK3BSTAT3TOP2ATOP2B
SCHEMBL14389078 0.85 ADRB2 (0.59) ADRB2GSK3BSTAT3TOP2ATOP2B
SCHEMBL10563639 0.85 STAT3 (0.50) ADRB2STAT3TDP1
SCHEMBL1989474 0.85 ADRB2 (0.61) ADRB2GSK3BSTAT3TOP2ATOP2B
SCHEMBL29391687 0.85 ADRB2 (0.61) ADRB2GSK3BSTAT3TOP2ATOP2B
SCHEMBL115725 0.84 ADRB2 (0.43) ADRB2GSK3BSTAT3TOP2ATOP2B
SCHEMBL10772266 0.84 STAT3 (0.46) ADRB2GSK3BSTAT3TOP2ATOP2B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 EP disclosed
EP-2102217-B1 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
EP-2383271-A1 Aminoquinolones as GSK-3 Inhibitors Kyorin Pharmaceutical Co., Ltd. (JP) 2011-11-02 EP disclosed
US-8039466-B2 5-hydroxymethyl-oxazolidin-2-one antibacterials ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US disclosed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US disclosed
US-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS ACTELION PHARMACEUTICALS, LTD. (CH) 2010-03-18 US disclosed
EP-2102217-A2 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS Actelion Pharmaceuticals Ltd. (CH) 2009-09-23 EP disclosed
WO-2008062379-A2 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 WO disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US 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-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS OGFOD1, ODC1, OXGR1 ADRB2 1252/4885GSK3B 3710/4885STAT3 4566/4885
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP ADRB2 2944/4885GSK3B 1/4885STAT3 115/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 ADRB2 1777/4885GSK3B 4330/4885STAT3 4545/4885

“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.