Sugi Predict

Sugi Predict / Compounds / SCHEMBL2193410

SCHEMBL2193410

SCHEMBL2193410

CC1(C)COc2c(F)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.49
▸ STAT3 P40763 1/20 0.34
▸ TOP2A P11388 1/20 0.33
▸ TOP2B Q02880 1/20 0.33
▸ TOP1 P11387 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL2192817 0.91 GSK3B (0.42) GSK3BCNR1CNR2
SCHEMBL15090820 0.90 GSK3B (0.41) GSK3BSTAT3TOP2ATOP2BTOP1
SCHEMBL1186321 0.88 GSK3B (0.45) GSK3BSTAT3TOP2ATOP2BTOP1
SCHEMBL1186145 0.86 GSK3B (0.49) GSK3BSTAT3TOP2ATOP2BTOP1
SCHEMBL1187458 0.78 GSK3B (0.39) GSK3B
SCHEMBL1342789 0.77 STAT3 (0.40) GSK3BSTAT3ALDH1A1HTT
SCHEMBL2194453 0.77 TOP2A (0.56) GSK3BTOP2ATOP2BALDH1A1
SCHEMBL1187692 0.77 GSK3B (0.43) GSK3B
SCHEMBL2570886 0.76 TOP2A (0.42) GSK3BTOP2ATOP2BALDH1A1CNR1
SCHEMBL1345437 0.76 TOP2A (0.42) GSK3BTOP2ATOP2BALDH1A1CNR1

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
US-8389514-B2 Cyanoaminoquinolones and tetrazoloaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-03-05 — — US disclosed
US-8389514-B2 Cyanoaminoquinolones and tetrazoloaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-03-05 — — US disclosed
US-8389514-B2 Cyanoaminoquinolones and tetrazoloaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-03-05 — — US disclosed
EP-2203458-B1 CYANOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2011-11-02 — — EP disclosed
US-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 — — US disclosed
US-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 — — US disclosed
US-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 — — US disclosed
EP-2203458-A2 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2010-07-07 — — EP disclosed
WO-2009035634-A2 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES 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-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP GSK3B 2/4885STAT3 104/4885TOP2A 101/4885

“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.