SCHEMBL4445228

SCHEMBL4445228

CN(C)C(=O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.58
PIK3R1 P27986 9/20 0.58
MTOR P42345 8/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
PIK3CD O00329 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 3/20 0.41
HSD17B10 Q99714 2/20 0.41
AKT1 P31749 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PRKDC P78527 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1285143 0.87 PIK3CA (0.76) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1284650 0.86 PIK3CA (0.76) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1858936 0.85 PIK3CA (0.64) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL26079031 0.84 PIK3CA (0.60) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL5114460 0.84 PIK3CA (0.59) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1862152 0.82 PIK3CA (0.57) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL25393908 0.81 PIK3CA (0.51) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL25391300 0.81 PIK3CA (0.55) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL25392480 0.81 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL25392922 0.81 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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 1/4885PIK3R1 16/4885MTOR 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.