SCHEMBL20112902

SCHEMBL20112902

CCOCC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.74
PIK3CA P42336 14/20 0.74
PIK3CD O00329 10/20 0.74
PIK3CG P48736 10/20 0.74
PIK3CB P42338 9/20 0.74
RICTOR Q6R327 7/20 0.74
RPTOR Q8N122 7/20 0.74
MAPKAP1 Q9BPZ7 7/20 0.74
MLST8 Q9BVC4 7/20 0.74
PIK3C3 Q8NEB9 1/20 0.74
PRKDC P78527 6/20 0.65
DDR1 Q08345 3/20 0.65
ABL1 P00519 8/20 0.61
BMPR1B O00238 1/20 0.61
RIPK2 O43353 1/20 0.61
STK16 O75716 1/20 0.61
STK10 O94804 1/20 0.61
MAP4K4 O95819 1/20 0.61
RET P07949 1/20 0.61
PDGFRB P09619 1/20 0.61

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
SCHEMBL7895680 0.87 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15497291 0.87 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15497301 0.87 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Sapanisertib SCHEMBL7902875 0.85 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Sapanisertib SCHEMBL29351459 0.85 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL7903995 0.84 MTOR (0.71) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16546279 0.83 MTOR (0.84) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Sapanisertib SCHEMBL7895668 0.80 MTOR (0.77) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL30880103 0.79 MTOR (0.75) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL29201811 0.79 MTOR (0.75) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2018-05-03 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-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA MTOR 2/4885PIK3CA 132/4885PIK3CD 150/4885

“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.