SCHEMBL457005

SCHEMBL457005

O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 1.00
PIK3CD O00329 8/20 1.00
PIK3CB P42338 7/20 1.00
PIM1 P11309 6/20 1.00
PIK3CA P42336 6/20 0.67
PIK3CG P48736 5/20 0.67
ABL1 P00519 2/20 0.58
GSK3A P49840 4/20 0.48
HPGDS O60760 2/20 0.46
AAK1 Q2M2I8 4/20 0.45
CDK2 P24941 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
SCHEMBL456747 0.95 PIK3CD (0.91) GSK3BPIK3CDPIK3CBPIM1PIK3CA
SCHEMBL2166013 0.92 PIK3CD (0.84) GSK3BPIK3CDPIK3CBPIM1PIK3CA
SCHEMBL456195 0.90 PIK3CD (0.81) GSK3BPIK3CDPIK3CBPIM1PIK3CA
SCHEMBL457518 0.89 PIK3CD (0.79) GSK3BPIK3CDPIK3CBPIM1PIK3CA
SCHEMBL458879 0.88 PIK3CD (0.78) GSK3BPIK3CDPIK3CBPIM1PIK3CA
SCHEMBL456663 0.84 PIK3CD (0.72) GSK3BPIK3CDPIK3CBPIM1PIK3CA
SCHEMBL12405717 0.84 PIK3CD (0.72) GSK3BPIK3CDPIK3CBPIM1PIK3CA
SCHEMBL13578870 0.84 PIK3CD (0.72) GSK3BPIK3CDPIK3CBPIM1PIK3CA
SCHEMBL458468 0.84 PIK3CD (0.72) GSK3BPIK3CDPIK3CBPIM1PIK3CA
SCHEMBL1119169 0.82 PIK3CD (0.77) GSK3BPIK3CDPIK3CBPIM1PIK3CA

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-2280705-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-10-08 EP claimed
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 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
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 GSK3B 389/4885PIK3CD 2938/4885PIK3CB 1706/4885
US-20110183973-A1 Novel Compounds PIK3C2B, PIK3CD, PIK3CA GSK3B 56/4885PIK3CD 2/4885PIK3CB 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.