SCHEMBL2214801

SCHEMBL2214801

Cn1nc(CN2CCOCC2)cc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.55
PIK3CA P42336 9/20 0.55
PIK3CB P42338 7/20 0.55
PIK3CG P48736 6/20 0.55
PIM1 P11309 2/20 0.55
GSK3B P49841 2/20 0.55
HPGDS O60760 3/20 0.39
MTOR P42345 1/20 0.38
PRKDC P78527 1/20 0.38
ATR Q13535 1/20 0.38
PIK3R1 P27986 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK2 P24941 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 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
SCHEMBL2212885 0.91 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPIM1
SCHEMBL2210792 0.87 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIM1
SCHEMBL2215897 0.86 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIM1
SCHEMBL1252541 0.86 PIK3CA (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPIM1
SCHEMBL1251729 0.86 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPIM1
SCHEMBL2214569 0.85 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIM1
SCHEMBL2214497 0.83 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIM1
SCHEMBL2213014 0.83 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPIM1
SCHEMBL2214317 0.82 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPIM1
SCHEMBL12544541 0.82 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPIM1

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 12 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
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
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 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
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US 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 2/4885PIK3CA 1/4885PIK3CB 6/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CA 2691/4885PIK3CB 1706/4885

“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.