SCHEMBL3772835

SCHEMBL3772835

CC1(C)OCc2c(N3C[C@H]4CC[C@@H](C3)O4)nc(-c3cnc(N)nc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.53
PIK3CA P42336 4/20 0.53
MAP3K12 Q12852 14/20 0.43
PIK3R1 P27986 2/20 0.43
RICTOR Q6R327 2/20 0.43
RPTOR Q8N122 2/20 0.43
MAPKAP1 Q9BPZ7 2/20 0.43
MLST8 Q9BVC4 2/20 0.43

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
SCHEMBL7762787 1.00 MTOR (0.53) MTORPIK3CAMAP3K12PIK3R1RICTOR
SCHEMBL984817 0.82 MTOR (0.51) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL7763500 0.81 PIK3CA (0.58) MTORPIK3CAMAP3K12PIK3R1RICTOR
SCHEMBL3782581 0.79 MAP3K12 (0.49) MTORPIK3CAMAP3K12PIK3R1RICTOR
SCHEMBL7765707 0.79 MAP3K12 (0.49) MTORPIK3CAMAP3K12PIK3R1RICTOR
SCHEMBL7765699 0.78 MAP3K12 (0.48) MAP3K12
SCHEMBL3787795 0.78 MAP3K12 (0.48) MAP3K12
SCHEMBL7765700 0.76 MTOR (0.38) MTOR
SCHEMBL982909 0.75 MTOR (0.66) MTORPIK3CAPIK3R1
SCHEMBL2708158 0.74 MTOR (0.67) MTORPIK3CAPIK3R1RICTORRPTOR

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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US claimed

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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR MTOR 1/4885PIK3CA 2/4885MAP3K12 40/4885

“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.