SCHEMBL8102353

SCHEMBL8102353

CCOC(=O)c1cn2c3c(c(F)c(F)cc3c1=O)OC(C)CC21CCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.44
GSK3B P49841 1/20 0.43
ADRB2 P07550 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
LMNA P02545 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
SCHEMBL1185913 0.85 STAT3 (0.47) STAT3GSK3BADRB2CNR1CNR2
SCHEMBL8097993 0.84 STAT3 (0.46) STAT3GSK3BADRB2CNR1CNR2
SCHEMBL1185837 0.83 STAT3 (0.47) STAT3GSK3BADRB2CNR1CNR2
SCHEMBL8101363 0.83 GSK3B (0.57) STAT3GSK3BHTTTSHRCASP1
SCHEMBL8091801 0.83 STAT3 (0.46) STAT3GSK3BADRB2CNR1CNR2
SCHEMBL1186154 0.81 STAT3 (0.48) STAT3ADRB2CNR1CNR2KDM4E
SCHEMBL8094691 0.81 STAT3 (0.48) STAT3GSK3BADRB2CNR1CNR2
SCHEMBL8108264 0.80 GSK3B (0.46) STAT3GSK3BALDH1A1KMT2AHTT
SCHEMBL8102086 0.80 CNR1 (0.46) STAT3GSK3BADRB2CNR1CNR2
SCHEMBL12873978 0.79 STAT3 (0.48) STAT3ADRB2KDM4EHPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 EP disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 US disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 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 (1 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-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP STAT3 1982/4885GSK3B 2/4885ADRB2 325/4885

“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.