SCHEMBL456830

SCHEMBL456830

CC(C)n1nccc1C(=O)Nc1cc(-c2ccnc3[nH]ccc23)cc2[nH]ncc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.51
PIK3CB P42338 4/20 0.51
PIM1 P11309 4/20 0.51
GSK3B P49841 4/20 0.51
PIK3CG P48736 4/20 0.51
PIK3CA P42336 3/20 0.51
CCNK O75909 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
CIT O14578 11/20 0.41
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
INCENP Q9NQS7 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL2212188 0.91 PIK3CD (0.46) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL461505 0.88 PIK3CD (0.65) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2215238 0.87 PIK3CD (0.43) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL457078 0.87 PIK3CD (0.45) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL459146 0.86 PIK3CD (0.51) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL463241 0.85 PIK3CD (0.51) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2212860 0.85 PIK3CD (0.53) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL456367 0.85 PIK3CD (0.50) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2215185 0.83 PIK3CD (0.48) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1771599 0.81 PIK3CD (0.47) PIK3CDPIK3CBPIM1GSK3BPIK3CG

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US claimed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP claimed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US claimed
EP-2300437-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES Glaxo Group Limited (GB) 2011-03-30 EP claimed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO 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-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
EP-2300437-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES Glaxo Group Limited (GB) 2011-03-30 EP disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA PIK3CD 2/4885PIK3CB 6/4885PIM1 46/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CB 1706/4885PIM1 1258/4885

“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.