SCHEMBL459229

SCHEMBL459229

Cc1nc(C(=O)Nc2cc(-c3ccnc4[nH]ccc34)cc3[nH]ncc23)cs1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.59
PIK3CG P48736 5/20 0.59
PIK3CB P42338 5/20 0.59
PIK3CA P42336 4/20 0.59
PIM1 P11309 4/20 0.59
GSK3B P49841 4/20 0.59
CCNK O75909 1/20 0.49
CDK12 Q9NYV4 1/20 0.49
PRKCI P41743 2/20 0.41
NUDT1 P36639 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
CIT O14578 4/20 0.39
TLR7 Q9NYK1 1/20 0.39
AKT1 P31749 1/20 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
SCHEMBL2214455 0.88 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL458945 0.88 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL2213289 0.87 PIK3CD (0.73) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL2217978 0.87 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL457016 0.85 PIK3CD (0.57) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL2214706 0.85 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1957087 0.84 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL2212184 0.84 PIK3CD (0.57) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1772461 0.84 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL459748 0.83 PIK3CD (0.56) PIK3CDPIK3CGPIK3CBPIK3CAPIM1

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 22 patents — showing the first 20. 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-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 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
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 (3 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 2/4885PIK3CG 15/4885PIK3CB 6/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CG 2718/4885PIK3CB 1706/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 PIK3CD 2/4885PIK3CG 4/4885PIK3CB 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.