SCHEMBL2707965

SCHEMBL2707965

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)COCC3)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.79
CYP3A4 P08684 2/20 0.79
PIK3CA P42336 3/20 0.77
KCNH2 Q12809 1/20 0.75
RPTOR Q8N122 1/20 0.72
MLST8 Q9BVC4 1/20 0.72

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
SCHEMBL2707961 1.00 MTOR (0.79) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL2709527 0.95 MTOR (0.76) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL2708479 0.95 MTOR (0.76) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL2710105 0.93 MTOR (0.80) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL2710111 0.93 MTOR (0.80) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL2709368 0.91 MTOR (0.74) MTORCYP3A4PIK3CAKCNH2
SCHEMBL2709365 0.91 MTOR (0.74) MTORCYP3A4PIK3CAKCNH2
SCHEMBL8367409 0.91 MTOR (0.67) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL2708186 0.90 MTOR (0.75) MTORCYP3A4PIK3CAKCNH2
SCHEMBL2708191 0.90 MTOR (0.75) MTORCYP3A4PIK3CAKCNH2

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 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

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 1/4885CYP3A4 1146/4885PIK3CA 2/4885

“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.