SCHEMBL2728259

SCHEMBL2728259

CC1(C)OCc2c(N3CCOCC3)nc(-c3ccc(N)c(N)c3)nc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.47
PIK3CA P42336 5/20 0.40
RPTOR Q8N122 3/20 0.40
MLST8 Q9BVC4 3/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CB P42338 1/20 0.40
PIK3R1 P27986 2/20 0.39
RICTOR Q6R327 2/20 0.39
MAPKAP1 Q9BPZ7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 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
SCHEMBL2709654 0.86 MTOR (0.44) MTORMAPTSMN1; SMN2
SCHEMBL2709295 0.85 MTOR (0.57) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL2708261 0.85 PIK3CA (0.49) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2707460 0.85 PIK3CA (0.60) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL985243 0.84 MTOR (0.51) MTORMAPTSMN1; SMN2HIF1A
SCHEMBL2727127 0.84 GRIA1 (0.47) MTORPIK3CAPIK3CDPIK3CGKDM4E
SCHEMBL2707251 0.84 MTOR (0.42) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL2708734 0.84 MTOR (0.42) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL7763500 0.83 PIK3CA (0.58) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL2708281 0.81 MTOR (0.43) MTORPIK3CAPIK3CDPIK3CGHIF1A

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
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
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 2/4885RPTOR 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.