SCHEMBL457016

SCHEMBL457016

Cc1nc(C(=O)Nc2cc(-c3cncc4[nH]ccc34)cc3[nH]ncc23)cs1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.57
GSK3B P49841 9/20 0.57
PIM1 P11309 8/20 0.57
PIK3CB P42338 7/20 0.57
PIK3CG P48736 7/20 0.57
PIK3CA P42336 7/20 0.57
PIK3C3 Q8NEB9 1/20 0.44
BRD4 O60885 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DYRK1A Q13627 1/20 0.35
CHEK1 O14757 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ROCK2 O75116 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL2213289 0.89 PIK3CD (0.73) PIK3CDGSK3BPIM1PIK3CBPIK3CG
SCHEMBL2212184 0.89 PIK3CD (0.57) PIK3CDGSK3BPIM1PIK3CBPIK3CG
SCHEMBL459748 0.88 PIK3CD (0.56) PIK3CDGSK3BPIM1PIK3CBPIK3CG
SCHEMBL457562 0.88 PIK3CD (0.57) PIK3CDGSK3BPIM1PIK3CBPIK3CG
SCHEMBL2214091 0.86 PIK3CD (0.60) PIK3CDGSK3BPIM1PIK3CBPIK3CG
SCHEMBL2214225 0.86 PIK3CD (0.58) PIK3CDGSK3BPIM1PIK3CBPIK3CG
SCHEMBL2217978 0.86 PIK3CD (0.55) PIK3CDGSK3BPIM1PIK3CBPIK3CG
SCHEMBL2215057 0.85 PIK3CD (0.53) PIK3CDGSK3BPIM1PIK3CBPIK3CG
SCHEMBL459229 0.85 PIK3CD (0.59) PIK3CDGSK3BPIM1PIK3CBPIK3CG
SCHEMBL2213276 0.84 PIK3CD (0.72) PIK3CDGSK3BPIM1PIK3CBPIK3CG

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 19 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
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 2/4885GSK3B 81/4885PIM1 46/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885GSK3B 389/4885PIM1 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.