SCHEMBL1779880

SCHEMBL1779880

Cc1cccc(C(=O)Nc2cc(-c3ccnc4[nH]ccc34)cc3c2cnn3C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIM1 P11309 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
GSK3B P49841 1/20 0.43
PRKCI P41743 5/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
NUDT1 P36639 3/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
ROCK2 O75116 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
CIT O14578 3/20 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
SCHEMBL1779380 0.88 PIK3CD (0.53) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL459104 0.85 AURKA (0.41) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL1252933 0.80 PIK3CD (0.68) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL1252861 0.78 L3MBTL1 (0.38) PIK3CDGSK3BPIK3C3
SCHEMBL1251758 0.77 PIK3CD (0.51) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL1779296 0.76 GRM5 (0.46) TYK2
SCHEMBL1780067 0.75 PIK3CD (0.41) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL2056473 0.74 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL1771359 0.74 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL1251740 0.70 PIK3CD (0.76) PIK3CDPIM1PIK3CAPIK3CBPIK3CG

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 2938/4885PIM1 1258/4885PIK3CA 2691/4885
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.