SCHEMBL2708328

SCHEMBL2708328

CC1COCCN1c1nc(-c2ccc(N)cc2)nc2c1COCC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.55
PIK3CA P42336 10/20 0.55
RPTOR Q8N122 7/20 0.55
MLST8 Q9BVC4 7/20 0.55
PIK3R1 P27986 6/20 0.55
RICTOR Q6R327 6/20 0.55
MAPKAP1 Q9BPZ7 6/20 0.55
PIK3CD O00329 2/20 0.55
PIK3CB P42338 2/20 0.55
PIK3CG P48736 2/20 0.55
PIK3C3 Q8NEB9 2/20 0.55
CYP3A4 P08684 1/20 0.50
KCNH2 Q12809 1/20 0.47

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
SCHEMBL2708323 1.00 MTOR (0.55) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL10221072 0.90 MTOR (0.54) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL2711115 0.86 MTOR (0.56) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL2711118 0.86 MTOR (0.56) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL413932 0.86 MTOR (0.54) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL443148 0.86 MTOR (0.54) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL2710104 0.84 MTOR (0.55) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL2710100 0.84 MTOR (0.55) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL3227470 0.84 MTOR (0.51) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL2708865 0.83 MTOR (0.53) MTORPIK3CARPTORMLST8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445346-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2012-05-02 EP 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 1/4885PIK3CA 2/4885RPTOR 15/4885

“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.