SCHEMBL2212860

SCHEMBL2212860

CC(C)n1nccc1C(=O)Nc1cc(-c2cccc3[nH]ncc23)cc2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.53
PIK3CG P48736 7/20 0.53
PIM1 P11309 6/20 0.53
GSK3B P49841 6/20 0.53
PIK3CB P42338 6/20 0.53
PIK3CA P42336 6/20 0.53
AURKA O14965 1/20 0.43
ROCK2 O75116 1/20 0.43
ERBB2 P04626 1/20 0.43
CSF1R P07333 1/20 0.43
FLT1 P17948 1/20 0.43
RPS6KB1 P23443 1/20 0.43
TYK2 P29597 1/20 0.43
AKT1 P31749 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
RPS6KA3 P51812 1/20 0.43
STK3 Q13188 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL461505 0.92 PIK3CD (0.65) PIK3CDPIK3CGPIM1GSK3BPIK3CB
SCHEMBL2213559 0.88 PIK3CD (0.46) PIK3CDPIK3CGPIM1GSK3BPIK3CB
SCHEMBL2212188 0.88 PIK3CD (0.46) PIK3CDPIK3CGPIM1GSK3BPIK3CB
SCHEMBL1771599 0.85 PIK3CD (0.47) PIK3CDPIK3CGPIM1GSK3BPIK3CB
SCHEMBL458651 0.85 PIK3CD (0.42) PIK3CDPIK3CGPIM1GSK3BPIK3CB
SCHEMBL456830 0.85 PIK3CD (0.51) PIK3CDPIK3CGPIM1GSK3BPIK3CB
SCHEMBL2215238 0.84 PIK3CD (0.43) PIK3CDPIK3CGPIM1GSK3BPIK3CB
SCHEMBL459146 0.83 PIK3CD (0.51) PIK3CDPIK3CGPIM1GSK3BPIK3CB
SCHEMBL2214906 0.83 PIK3CD (0.65) PIK3CDPIK3CGPIM1GSK3BPIK3CB
SCHEMBL463241 0.82 PIK3CD (0.51) PIK3CDPIK3CGPIM1GSK3BPIK3CB

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 11 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
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 2/4885PIK3CG 15/4885PIM1 46/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CG 2718/4885PIM1 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.