SCHEMBL1781657

SCHEMBL1781657

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.76
PIK3CB P42338 9/20 0.76
PIK3CG P48736 8/20 0.76
PIK3CA P42336 8/20 0.76
PIM1 P11309 7/20 0.76
GSK3B P49841 7/20 0.76
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
HPGDS O60760 3/20 0.41
FTO Q9C0B1 1/20 0.40
ABL1 P00519 1/20 0.40
KIT P10721 1/20 0.39
BACE1 P56817 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL1778909 0.89 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1781520 0.89 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1778904 0.89 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1780555 0.87 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1250145 0.87 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL459117 0.87 PIK3CD (1.00) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2165308 0.86 PIK3CD (0.67) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2166103 0.86 PIK3CD (0.67) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2165967 0.85 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2214912 0.85 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIK3CAPIM1

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.