SCHEMBL5138837

SCHEMBL5138837

Cc1c(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.63
PIK3CA P42336 17/20 0.63
PIK3CD O00329 10/20 0.58
PIK3CB P42338 10/20 0.58
PIK3CG P48736 10/20 0.58
RPTOR Q8N122 1/20 0.58
MLST8 Q9BVC4 1/20 0.58
SYK P43405 2/20 0.48
MAP3K9 P80192 2/20 0.48
PIK3C2A O00443 1/20 0.48
PIK3C2B O00750 1/20 0.48
STK10 O94804 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
FGR P09769 1/20 0.48
FER P16591 1/20 0.48
PRKCA P17252 1/20 0.48
JAK1 P23458 1/20 0.48
TEC P42680 1/20 0.48

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
SCHEMBL4441039 0.90 MTOR (0.73) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4437698 0.86 MTOR (0.80) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL5110185 0.82 MTOR (0.61) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4441057 0.81 MTOR (0.75) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4445716 0.81 MTOR (0.85) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4442045 0.81 MTOR (0.58) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4438995 0.80 PIK3CA (0.67) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4440763 0.79 MTOR (0.81) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL8191681 0.78 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1181644 0.78 PIK3CA (0.80) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 2 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
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US 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 MTOR 11/4885PIK3CA 1/4885PIK3CD 5/4885

“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.