SCHEMBL457137

SCHEMBL457137

O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCN(C3CCCC3)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.60
PIK3CB P42338 8/20 0.60
PIM1 P11309 7/20 0.60
GSK3B P49841 7/20 0.60
PIK3CG P48736 7/20 0.60
PIK3CA P42336 7/20 0.60
HPGDS O60760 1/20 0.39
DDR2 Q16832 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ABL1 P00519 1/20 0.37
S1PR1 P21453 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
CCR3 P51677 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
Trifluoroacetic Acid SCHEMBL1779645 0.95 PIK3CD (0.55) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL459109 0.94 PIK3CD (0.57) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1779554 0.91 PIK3CD (0.65) PIK3CDPIK3CBPIM1GSK3BPIK3CG
Trifluoroacetic Acid SCHEMBL1780544 0.90 PIK3CD (0.52) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1780764 0.89 PIK3CD (0.64) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1251729 0.88 PIK3CD (0.63) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2212995 0.88 PIK3CD (0.58) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL458990 0.88 PIK3CD (0.59) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1957957 0.87 PIK3CD (0.62) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL470158 0.87 PIK3CD (0.62) PIK3CDPIK3CBPIM1GSK3BPIK3CG

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 1706/4885PIM1 1258/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD PIK3CD 3/4885PIK3CB 4/4885PIM1 68/4885

“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.