Sugi Predict

Sugi Predict / Compounds / SCHEMBL456982

SCHEMBL456982

SCHEMBL456982

O=C(CCc1ccccc1)Nc1cc(-c2ccc(O)cc2)cc2[nH]ncc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.61
▸ PIK3CD O00329 6/20 0.61
▸ PIM1 P11309 5/20 0.61
▸ PIK3CG P48736 5/20 0.61
▸ PIK3CA P42336 5/20 0.59
▸ PIK3CB P42338 4/20 0.59
▸ JAK2 O60674 2/20 0.54
▸ JAK1 P23458 2/20 0.54
▸ TYK2 P29597 2/20 0.54
▸ JAK3 P52333 2/20 0.54
▸ HCAR2 Q8TDS4 6/20 0.54
▸ TOP2A P11388 1/20 0.48
▸ TOP2B Q02880 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ IDO1 P14902 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ ALPL P05186 1/20 0.45

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
SCHEMBL458058 0.90 PIK3CD (0.63) GSK3BPIK3CDPIM1PIK3CGPIK3CA
SCHEMBL457541 0.77 PIK3CD (0.66) GSK3BPIK3CDPIM1PIK3CGPIK3CA
SCHEMBL458562 0.76 PIK3CD (1.00) GSK3BPIK3CDPIM1PIK3CGPIK3CA
SCHEMBL1119958 0.74 GSK3B (1.00) GSK3BPIK3CDPIM1PIK3CGPIK3CA
SCHEMBL459197 0.74 PIK3CD (0.67) GSK3BPIK3CDPIM1PIK3CGPIK3CA
SCHEMBL13577989 0.74 PIK3CD (0.67) GSK3BPIK3CDPIM1PIK3CGPIK3CA
SCHEMBL17507474 0.74 PIK3CD (0.67) GSK3BPIK3CDPIM1PIK3CGPIK3CA
SCHEMBL1120043 0.72 PIK3CD (0.89) GSK3BPIK3CDPIM1PIK3CGPIK3CA
SCHEMBL1771698 0.72 PIK3CD (0.72) GSK3BPIK3CDPIM1PIK3CGPIK3CA
SCHEMBL5640026 0.71 MEN1 (0.62) GSK3BJAK2ROCK2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 — — EP claimed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 — — US claimed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 — — US claimed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 — — EP claimed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 — — WO claimed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 — — US disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 — — EP disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 — — EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 — — US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 — — US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 — — US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 — — US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 — — WO disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 — — US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 — — US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 — — US disclosed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 — — EP disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 — — WO disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 — — 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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 GSK3B 389/4885PIK3CD 2938/4885PIM1 1258/4885
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 GSK3B 234/4885PIK3CD 111/4885PIM1 170/4885

“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.