SCHEMBL3786594

SCHEMBL3786594

Nc1ccc(-c2nc3c(c(N4[C@@H]5CC[C@H]4COC5)n2)CCC2(CC2)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.44
PIK3CA P42336 16/20 0.44
PIK3R1 P27986 5/20 0.44
RICTOR Q6R327 4/20 0.44
RPTOR Q8N122 4/20 0.44
MAPKAP1 Q9BPZ7 4/20 0.44
MLST8 Q9BVC4 4/20 0.44
PIK3CD O00329 1/20 0.32
MAP3K12 Q12852 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL3776837 0.80 MTOR (0.47) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL7762314 0.80 MTOR (0.47) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2725672 0.80 PIK3CA (0.51) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL3782370 0.79 MTOR (0.50) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL3782364 0.79 MTOR (0.50) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL3775433 0.78 MTOR (0.49) MTORPIK3CAPIK3CG
SCHEMBL7765150 0.78 MTOR (0.49) MTORPIK3CAPIK3CG
SCHEMBL3722463 0.76 MTOR (0.51) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL629294 0.76 MTOR (0.47) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL13153937 0.74 PIK3CA (0.46) 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 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR MTOR 1/4885PIK3CA 2/4885PIK3R1 104/4885

“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.