SCHEMBL456747

SCHEMBL456747

O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)C1CCCCC1

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.91
GSK3B P49841 7/20 0.91
PIK3CB P42338 7/20 0.91
PIM1 P11309 6/20 0.91
PIK3CA P42336 6/20 0.64
PIK3CG P48736 5/20 0.64
ABL1 P00519 2/20 0.53
HPGDS O60760 2/20 0.44
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
GSK3A P49840 1/20 0.43
RXFP2 Q8WXD0 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
POLB P06746 1/20 0.41
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL457005 0.95 GSK3B (1.00) PIK3CDGSK3BPIK3CBPIM1PIK3CA
SCHEMBL2166013 0.89 PIK3CD (0.84) PIK3CDGSK3BPIK3CBPIM1PIK3CA
SCHEMBL456195 0.87 PIK3CD (0.81) PIK3CDGSK3BPIK3CBPIM1PIK3CA
SCHEMBL457518 0.86 PIK3CD (0.79) PIK3CDGSK3BPIK3CBPIM1PIK3CA
SCHEMBL458879 0.85 PIK3CD (0.78) PIK3CDGSK3BPIK3CBPIM1PIK3CA
SCHEMBL456663 0.82 PIK3CD (0.72) PIK3CDGSK3BPIK3CBPIM1PIK3CA
SCHEMBL458468 0.81 PIK3CD (0.72) PIK3CDGSK3BPIK3CBPIM1PIK3CA
SCHEMBL12405717 0.81 PIK3CD (0.72) PIK3CDGSK3BPIK3CBPIM1PIK3CA
SCHEMBL13578870 0.81 PIK3CD (0.72) PIK3CDGSK3BPIK3CBPIM1PIK3CA
SCHEMBL457564 0.81 GSK3B (0.90) PIK3CDGSK3BPIK3CBPIM1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280705-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-10-08 EP claimed
US-20110183973-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-07-28 US claimed
EP-2280705-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 EP claimed
WO-2009147189-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
EP-2280705-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-10-08 EP disclosed
US-8536169-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
US-8536169-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-09-17 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-20110183973-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-07-28 US disclosed
US-20110183973-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-07-28 US disclosed
US-20110183973-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-07-28 US disclosed
EP-2280705-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147189-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147189-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 2938/4885GSK3B 389/4885PIK3CB 1706/4885
US-20110183973-A1 Novel Compounds PIK3C2B, PIK3CD, PIK3CA PIK3CD 2/4885GSK3B 56/4885PIK3CB 5/4885

“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.