SCHEMBL4438229

SCHEMBL4438229

COC(C)(C)c1cc2c(N3CCOCC3)nc(Cl)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
PIK3CA P42336 5/20 0.47
MTOR P42345 2/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HRH3 Q9Y5N1 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CB P42338 3/20 0.36
PDE10A Q9Y233 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ADORA2A P29274 1/20 0.34
PRKDC P78527 1/20 0.34

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
SCHEMBL1859364 0.87 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAMTORALDH1A1KDM4E
SCHEMBL4439732 0.81 PIK3CA (0.65) SMN1; SMN2PIK3CAMTORPIK3CBKMT2A
SCHEMBL4438353 0.79 PIK3CA (0.73) PIK3CAMTORPIK3CB
SCHEMBL4446531 0.79 SMN1; SMN2 (0.51) SMN1; SMN2PIK3CAALDH1A1KDM4EMAPK1
SCHEMBL4436815 0.78 PIK3CA (0.58) PIK3CAMTORALDH1A1KDM4EMAPK1
SCHEMBL4441865 0.76 SMN1; SMN2 (0.49) SMN1; SMN2PIK3CAALDH1A1KDM4EMAPK1
SCHEMBL8199168 0.76 SMN1; SMN2 (0.49) SMN1; SMN2PIK3CAALDH1A1KDM4EMAPK1
SCHEMBL1192243 0.76 SMN1; SMN2 (0.42) SMN1; SMN2PIK3CAMTORALDH1A1KDM4E
SCHEMBL4437342 0.76 PIK3CA (0.54) PIK3CAMTORALDH1A1KDM4EMAPK1
SCHEMBL190241 0.75 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAALDH1A1KDM4EMAPK1

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 SMN1; SMN2 1323/4885PIK3CA 1/4885MTOR 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.