SCHEMBL2214792

SCHEMBL2214792

C[C@@H]1CN(Cc2nc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4c3cnn4C)cs2)C[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.42
PIK3CD O00329 5/20 0.42
PIK3CB P42338 5/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CG P48736 4/20 0.42
GSK3B P49841 2/20 0.42
HPGDS O60760 3/20 0.35
ATR Q13535 2/20 0.34
ABL1 P00519 1/20 0.34
CLK2 P49760 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CHRNA7 P36544 1/20 0.33
KCNH2 Q12809 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL1433362 1.00 PIM1 (0.42) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL2215093 0.88 PIK3CD (0.58) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL15387466 0.85 PIM1 (0.41) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1771949 0.81 IDO1 (0.39) PIM1CLK2LRRK2
SCHEMBL2213348 0.80 PIK3CD (0.56) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1960291 0.78 PIK3CD (0.56) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1252933 0.77 PIK3CD (0.68) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1120003 0.77 PIK3CD (0.41) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1779380 0.77 PIK3CD (0.53) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1772516 0.76 PIK3CD (0.51) PIK3CDPIK3CBPIK3CAPIK3CG

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 13 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
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 PIM1 46/4885PIK3CD 2/4885PIK3CB 6/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIM1 1258/4885PIK3CD 2938/4885PIK3CB 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.