SCHEMBL1345609

SCHEMBL1345609

CCOC(=O)c1cn(C2CC2)c2c(OC(C)C)c(F)c(F)c([N+](=O)[O-])c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.38
GSK3B P49841 5/20 0.38
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
TOP2A P11388 2/20 0.35
TOP2B Q02880 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.34
KCNH2 Q12809 3/20 0.34
CACNA1F O60840 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 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
SCHEMBL1982631 0.93 ADRB2 (0.42) ADRB2STAT3HTTGSK3BTSHR
SCHEMBL1345260 0.90 ADRB2 (0.44) ADRB2STAT3HTTGSK3BTSHR
SCHEMBL9248857 0.88 STAT3 (0.50) ADRB2STAT3HTTGSK3BTSHR
SCHEMBL7520230 0.87 ADRB2 (0.46) ADRB2STAT3HTTGSK3BTSHR
SCHEMBL1344887 0.86 ADRB2 (0.41) ADRB2STAT3HTTGSK3BTSHR
SCHEMBL1344925 0.86 STAT3 (0.46) ADRB2STAT3HTTGSK3BTSHR
SCHEMBL1345019 0.85 GSK3B (0.50) ADRB2STAT3GSK3BTOP2ATOP2B
SCHEMBL9688340 0.85 ADRB2 (0.45) ADRB2STAT3HTTGSK3BTSHR
SCHEMBL1343207 0.82 GSK3B (0.44) ADRB2STAT3HTTGSK3BTSHR
SCHEMBL1345069 0.82 ADRB2 (0.42) ADRB2STAT3HTTGSK3BTSHR

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 9 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
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
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-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

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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP ADRB2 2944/4885STAT3 115/4885HTT 3259/4885

“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.