SCHEMBL2707460

SCHEMBL2707460

CC1(C)OCc2c(N3CCOCC3)nc(-c3ccc4oc(N)nc4c3)nc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.60
PIK3CD O00329 1/20 0.60
PIK3CB P42338 1/20 0.60
PIK3CG P48736 1/20 0.60
MTOR P42345 6/20 0.43

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
SCHEMBL2708261 0.92 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2710197 0.86 MTOR (0.57) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2710203 0.86 MTOR (0.57) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2728259 0.85 MTOR (0.47) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2711565 0.83 MTOR (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2707251 0.82 MTOR (0.42) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2727127 0.80 GRIA1 (0.47) PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL2708734 0.80 MTOR (0.42) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2708281 0.80 MTOR (0.43) PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL2709295 0.79 MTOR (0.57) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US 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
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 PIK3CA 2/4885PIK3CD 6/4885PIK3CB 11/4885

“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.