SCHEMBL456977

SCHEMBL456977

O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(OC2CCOCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.64
PIK3CB P42338 8/20 0.64
PIK3CA P42336 8/20 0.64
PIM1 P11309 7/20 0.64
GSK3B P49841 7/20 0.64
PIK3CG P48736 7/20 0.64
ABL1 P00519 2/20 0.40
LRRK2 Q5S007 1/20 0.40
ATR Q13535 1/20 0.37
S1PR1 P21453 3/20 0.37
HPGDS O60760 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL1780205 0.86 PIK3CD (0.64) PIK3CDPIK3CBPIK3CAPIM1GSK3B
SCHEMBL1251737 0.85 PIK3CD (0.73) PIK3CDPIK3CBPIK3CAPIM1GSK3B
SCHEMBL1779629 0.85 PIK3CD (0.62) PIK3CDPIK3CBPIK3CAPIM1GSK3B
SCHEMBL458969 0.83 PIK3CA (0.66) PIK3CDPIK3CBPIK3CAPIM1GSK3B
SCHEMBL12603576 0.81 PIK3CD (0.78) PIK3CDPIK3CBPIK3CAPIM1GSK3B
SCHEMBL1251809 0.81 PIK3CD (0.78) PIK3CDPIK3CBPIK3CAPIM1GSK3B
SCHEMBL1779248 0.81 PIK3CD (0.69) PIK3CDPIK3CBPIK3CAPIM1GSK3B
SCHEMBL1251740 0.81 PIK3CD (0.76) PIK3CDPIK3CBPIK3CAPIM1GSK3B
SCHEMBL457079 0.81 PIK3CD (0.76) PIK3CDPIK3CBPIK3CAPIM1GSK3B
SCHEMBL1250145 0.81 PIK3CD (0.76) PIK3CDPIK3CBPIK3CAPIM1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US claimed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US claimed
EP-2280959-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 EP claimed
WO-2009147190-A1 NOVEL COMPOUNDS 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
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US 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
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US disclosed
EP-2280959-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147190-A1 NOVEL COMPOUNDS 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 PIK3CD 2938/4885PIK3CB 1706/4885PIK3CA 2691/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD PIK3CD 3/4885PIK3CB 4/4885PIK3CA 1/4885

“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.