SCHEMBL115991

SCHEMBL115991

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

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.62
STAT3 P40763 2/20 0.54
TOP2A P11388 6/20 0.49
TOP2B Q02880 6/20 0.49
KCNH2 Q12809 3/20 0.47
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL2844967 0.92 ADRB2 (0.68) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL29492858 0.92 ADRB2 (0.68) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL143605 0.90 ADRB2 (0.64) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL7575069 0.88 ADRB2 (0.61) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL9188190 0.88 ADRB2 (0.61) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL10627001 0.88 ADRB2 (0.66) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL114727 0.87 ADRB2 (0.61) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL8735574 0.87 ADRB2 (0.61) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL1989474 0.87 ADRB2 (0.61) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL29391687 0.87 ADRB2 (0.61) ADRB2STAT3TOP2ATOP2BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN claimed
CN-111514125-B Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2021-03-23 CN claimed
CN-111514125-A Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2020-08-11 CN claimed
CN-111150734-A Compositions containing mixtures of quinolinone derivatives and uses thereof 黄泳华 2020-05-15 CN claimed
CN-117658911-A Preparation method of gative ester 黑龙江珍宝岛药业股份有限公司 2024-03-08 CN disclosed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN disclosed
CN-111514125-B Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2021-03-23 CN disclosed
CN-111514125-A Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2020-08-11 CN disclosed
CN-111150734-A Compositions containing mixtures of quinolinone derivatives and uses thereof 黄泳华 2020-05-15 CN disclosed
CN-110878047-A Gatifloxacin carboxylic acid and its synthesis method 怀化学院 2020-03-13 CN disclosed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 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
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO disclosed
US-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof XINCHANG PHARMACEUTICAL FACTORY, ZHEJIANG MEDICINE CO. LTD. (CN) 2007-09-20 US disclosed
EP-1767536-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEREOF PREPARATION AND USAGE Institute of Medicinal Biotechnology, Chinese Acadamy of Medical Sciences (CN) 2007-03-28 EP disclosed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 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 (2 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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP ADRB2 2944/4885STAT3 115/4885TOP2A 205/4885
US-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof NQO2, ABCG2, DHX15 ADRB2 3671/4885STAT3 3550/4885TOP2A 256/4885

“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.