SCHEMBL1779734

SCHEMBL1779734

O=C(Nc1cc(-c2ccc3cc[nH]c3c2)cc2[nH]ncc12)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 1.00
PIK3CG P48736 7/20 1.00
PIK3CA P42336 7/20 1.00
PIK3CB P42338 7/20 1.00
PIM1 P11309 8/20 0.73
GSK3B P49841 8/20 0.73
HDAC1 Q13547 2/20 0.47
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
PDPK1 O15530 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
INSR P06213 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL458562 0.84 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL2213276 0.83 PIK3CD (0.72) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL459117 0.83 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL458670 0.82 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL13577986 0.82 PIK3CD (0.79) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1771249 0.81 PIK3CD (0.75) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL457245 0.81 PIK3CD (0.71) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1771962 0.81 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1777978 0.80 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL458619 0.79 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPIM1

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 9 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-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
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 2938/4885PIK3CG 2718/4885PIK3CA 2691/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD PIK3CD 3/4885PIK3CG 9/4885PIK3CA 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.