SCHEMBL1780427

SCHEMBL1780427

O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1ccc(N2CCCCC2)cn1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.68
PIK3CB P42338 7/20 0.68
PIK3CG P48736 7/20 0.68
PIM1 P11309 6/20 0.68
GSK3B P49841 6/20 0.68
PIK3CA P42336 6/20 0.68
TRPV1 Q8NER1 6/20 0.46
HPGDS O60760 1/20 0.43
HDAC2 Q92769 3/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC3 O15379 2/20 0.40
KCNH2 Q12809 1/20 0.39
ABL1 P00519 1/20 0.38

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
SCHEMBL1780937 0.92 PIK3CD (0.66) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL12603579 0.87 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1780173 0.86 PIK3CD (0.69) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1781520 0.83 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1778904 0.83 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1781657 0.83 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1778909 0.83 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1781091 0.83 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1779887 0.82 PIK3CD (0.60) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1779900 0.82 PIK3CD (0.60) PIK3CDPIK3CBPIK3CGPIM1GSK3B

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 11 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
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
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 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
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US 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 1706/4885PIK3CG 2718/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD PIK3CD 3/4885PIK3CB 4/4885PIK3CG 9/4885

“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.