SCHEMBL3781203

SCHEMBL3781203

C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)nc2c1COC2(C)CCO

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.64
PIK3R1 P27986 4/20 0.59
PIK3CA P42336 4/20 0.59
RICTOR Q6R327 4/20 0.59
RPTOR Q8N122 4/20 0.59
MAPKAP1 Q9BPZ7 4/20 0.59
MLST8 Q9BVC4 4/20 0.59
PIK3CD O00329 2/20 0.59
PIK3CB P42338 2/20 0.59
PIK3CG P48736 2/20 0.59
PIK3C3 Q8NEB9 2/20 0.59

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
SCHEMBL2707048 1.00 MTOR (0.64) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL2707043 1.00 MTOR (0.64) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL3781217 1.00 MTOR (0.64) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL7765695 0.90 MTOR (0.64) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL2708303 0.90 MTOR (0.64) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL2708856 0.90 MTOR (0.64) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL2708864 0.90 MTOR (0.64) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL2710925 0.88 MTOR (0.69) MTOR
SCHEMBL2710914 0.88 MTOR (0.69) MTOR
SCHEMBL2708595 0.87 MTOR (0.55) MTORPIK3R1PIK3CARICTORRPTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087336-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
WO-2010151601-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-29 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR MTOR 1/4885PIK3R1 104/4885PIK3CA 2/4885

“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.