SCHEMBL1780067

SCHEMBL1780067

O=C(Nc1cc(-c2ccnc3[nH]ccc23)cc2c1cnn2S(=O)(=O)c1ccccc1)c1cccc(CCl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIM1 P11309 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
GSK3B P49841 1/20 0.41
IKBKB O14920 3/20 0.40
CHUK O15111 3/20 0.40
AURKB Q96GD4 4/20 0.38
AURKA O14965 3/20 0.38
PRKCI P41743 2/20 0.37
NEK1 Q96PY6 4/20 0.36
GRM4 Q14833 1/20 0.36
MET P08581 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CSF1R P07333 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
SCHEMBL1779260 0.89 PIK3CD (0.49) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL1251686 0.81 PIK3CD (0.62) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL1779663 0.81 RORC (0.36) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1772959 0.78 PIK3CG (0.44) PIK3CDPIK3CAPIK3CBPIK3CGAKT1
SCHEMBL2212140 0.78 PIK3CD (0.46) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL1772776 0.78 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1251639 0.77 IKBKB (0.51) IKBKBCHUKAURKBAURKAPRKCI
SCHEMBL1431711 0.76 PIK3CD (0.51) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL1779880 0.75 PIK3CD (0.43) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL1771707 0.75 PIK3CG (0.37) PIK3CDPIK3CAPIK3CBPIK3CGAKT1

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 7 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 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-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 (1 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-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD PIK3CD 3/4885PIM1 68/4885PIK3CA 1/4885

“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.