SCHEMBL2709295

SCHEMBL2709295

CC1(C)OCc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.57
PIK3CA P42336 16/20 0.57
PIK3R1 P27986 11/20 0.57
RPTOR Q8N122 11/20 0.57
MLST8 Q9BVC4 11/20 0.57
RICTOR Q6R327 10/20 0.57
MAPKAP1 Q9BPZ7 10/20 0.57
PIK3CD O00329 4/20 0.54
PIK3CG P48736 4/20 0.54
PIK3CB P42338 3/20 0.46
PIK3C3 Q8NEB9 1/20 0.46

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
SCHEMBL7763500 0.88 PIK3CA (0.58) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL2728259 0.85 MTOR (0.47) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL985243 0.82 MTOR (0.51) MTOR
SCHEMBL2707460 0.79 PIK3CA (0.60) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2708261 0.79 PIK3CA (0.49) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2727127 0.78 GRIA1 (0.47) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2708734 0.78 MTOR (0.42) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL2707251 0.78 MTOR (0.42) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL2709654 0.78 MTOR (0.44) MTOR
SCHEMBL2711565 0.78 MTOR (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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 7 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 claimed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US claimed
WO-2010151601-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-29 WO claimed
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
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 2/4885PIK3R1 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.