SCHEMBL4445515

SCHEMBL4445515

CN(C(=O)OC(C)(C)C)c1ccc(-c2nc(N3CCOCC3)c3cc(-c4cccc(S(C)(=O)=O)c4)sc3n2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.67
PIK3CB P42338 8/20 0.67
MTOR P42345 4/20 0.51
PIK3CG P48736 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4436833 0.89 MTOR (0.67) PIK3CAPIK3CBMTORPIK3CG
SCHEMBL4439122 0.84 MTOR (0.67) PIK3CAPIK3CBMTORPIK3CG
SCHEMBL4437628 0.83 PIK3CA (0.86) PIK3CAPIK3CBMTORPIK3CGALDH1A1
SCHEMBL4437554 0.81 PIK3CA (0.78) PIK3CAPIK3CBMTORPIK3CGALDH1A1
SCHEMBL4440784 0.81 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGALDH1A1
SCHEMBL4447446 0.79 PIK3CA (0.81) PIK3CAPIK3CBMTORPIK3CGALDH1A1
SCHEMBL1860978 0.77 PIK3CA (0.74) PIK3CAPIK3CBMTORPIK3CGALDH1A1
SCHEMBL4445664 0.75 MTOR (0.72) PIK3CAPIK3CBMTORPIK3CG
SCHEMBL1192465 0.74 PIK3CA (0.48) PIK3CAPIK3CBMTORPIK3CG
SCHEMBL4433844 0.74 PIK3CA (0.70) PIK3CAPIK3CBMTORPIK3CGALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 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 (1 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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3CB 15/4885MTOR 11/4885

“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.