SCHEMBL4435305

SCHEMBL4435305

CC(C)(O)c1cc2c(N3CCOCC3)nc(Cl)nc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
PIK3CA P42336 4/20 0.35
MTOR P42345 3/20 0.35
GAA P10253 2/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
HTT P42858 1/20 0.35
SYK P43405 1/20 0.35
MAP3K9 P80192 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TTBK1 Q5TCY1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
MAT2A P31153 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL1860864 0.80 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAMTORGAAPIK3CD
SCHEMBL4445677 0.79 SMN1; SMN2 (0.51) SMN1; SMN2PIK3CAGAAKDM4EMAPT
SCHEMBL4437369 0.78 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL19142278 0.76 SMN1; SMN2 (0.45) SMN1; SMN2PIK3CAMTORGAAPIK3CD
SCHEMBL1859364 0.75 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL8408290 0.74 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAMTORGAAKDM4E
SCHEMBL2726524 0.74 SMN1; SMN2 (0.56) SMN1; SMN2PIK3CAMTORGAAKDM4E
SCHEMBL1285174 0.70 PIK3CA (0.63) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL4438200 0.69 SMN1; SMN2 (0.49) SMN1; SMN2PIK3CAGAAHTTKDM4E
SCHEMBL3404233 0.68 HRH4 (0.55) SMN1; SMN2PIK3CAGAAHTTKDM4E

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.