SCHEMBL2215927

SCHEMBL2215927

O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1ccon1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.73
PIK3CB P42338 9/20 0.73
PIK3CG P48736 8/20 0.73
PIK3CA P42336 8/20 0.73
PIM1 P11309 7/20 0.73
GSK3B P49841 7/20 0.73
HPGDS O60760 4/20 0.41
FTO Q9C0B1 1/20 0.40
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABL1 P00519 1/20 0.38
DHPS P49366 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1430759 0.86 PIK3CD (0.72) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL459117 0.85 PIK3CD (1.00) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2216456 0.85 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL12603576 0.84 PIK3CD (0.78) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1431439 0.84 PIK3CD (0.69) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1251809 0.84 PIK3CD (0.78) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2214490 0.83 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1119169 0.83 PIK3CD (0.77) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1778909 0.83 PIK3CD (0.76) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2214524 0.83 PIK3CD (0.73) PIK3CDPIK3CBPIK3CGPIK3CAPIM1

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 PIK3CD 2/4885PIK3CB 6/4885PIK3CG 15/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CB 1706/4885PIK3CG 2718/4885

“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.