SCHEMBL2710405

SCHEMBL2710405

C[C@H]1COCCN1c1nc(-c2ccc(Nc3nccc(OCc4ccccc4)n3)cc2)nc2c1CCCO2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.44
RPTOR Q8N122 6/20 0.41
MLST8 Q9BVC4 6/20 0.41
CYP3A4 P08684 3/20 0.41
PIK3CA P42336 8/20 0.40
PIK3R1 P27986 4/20 0.39
RICTOR Q6R327 4/20 0.39
MAPKAP1 Q9BPZ7 4/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39

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
SCHEMBL2710408 1.00 MTOR (0.44) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL10221115 0.90 MTOR (0.49) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL8368149 0.88 MTOR (0.44) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1833941 0.84 MTOR (0.49) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1832850 0.84 MTOR (0.49) MTORRPTORMLST8CYP3A4PIK3CA
Hydrochloric Acid SCHEMBL1834941 0.84 MTOR (0.48) MTORRPTORMLST8CYP3A4PIK3CA
Hydrochloric Acid SCHEMBL1829119 0.84 MTOR (0.48) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1830981 0.84 MTOR (0.53) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1830983 0.84 MTOR (0.53) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1831622 0.83 MTOR (0.59) MTORRPTORMLST8CYP3A4PIK3CA

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 4 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
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 1/4885RPTOR 15/4885MLST8 8/4885

“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.