SCHEMBL1344302

SCHEMBL1344302

COc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)c(C)n(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.40
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
KCNH2 Q12809 2/20 0.37
CACNA1F O60840 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
NOTUM Q6P988 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL1344927 0.87 GRK6 (0.38) GSK3BTOP2ATOP2BPOLBMEN1
SCHEMBL1342252 0.83 GSK3B (0.44) GSK3BTOP2ATOP2BKCNH2CACNA1F
SCHEMBL1345142 0.77 GSK3B (0.72) GSK3B
SCHEMBL1342925 0.77 GRK6 (0.43) GSK3BKMT2A
SCHEMBL16018069 0.75 KCNH2 (0.39) TOP2ATOP2BKCNH2POLBMEN1
SCHEMBL500863 0.75 GSK3B (0.64) GSK3BTOP2ATOP2BKCNH2CACNA1F
SCHEMBL6786216 0.74 GSK3B (0.40) GSK3BTOP2ATOP2BKCNH2CACNA1F
SCHEMBL16017811 0.72 KCNH2 (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL16019109 0.71 KDM4E (0.38) GSK3BKCNH2POLB
SCHEMBL12131079 0.71 GSK3B (0.62) GSK3BTOP2ATOP2BKCNH2CACNA1F

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 11 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
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 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
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885TOP2A 205/4885TOP2B 512/4885

“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.