SCHEMBL2709515

SCHEMBL2709515

O=[N+]([O-])c1ccc(-c2nc3c(c(N4CCOCC4)n2)CCOC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MTOR P42345 8/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
ACHE P22303 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
PHGDH O43175 1/20 0.40
POLB P06746 1/20 0.40
PIK3CA P42336 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1831903 0.84 MTOR (0.60) MEN1KMT2AMTORALDH1A1MAPK1
SCHEMBL2708901 0.83 MTOR (0.54) MTORPIK3CA
SCHEMBL2708898 0.83 MTOR (0.54) MTORPIK3CA
SCHEMBL8367391 0.82 MTOR (0.51) MEN1KMT2AMTORALDH1A1PIK3CA
SCHEMBL1829128 0.79 MEN1 (0.46) MEN1KMT2AMTORALDH1A1MAPK1
SCHEMBL1830875 0.78 MTOR (0.61) MEN1KMT2AMTORALDH1A1MAPK1
SCHEMBL2097249 0.78 MTOR (0.54) MEN1KMT2AMTORALDH1A1SMN1; SMN2
SCHEMBL13828865 0.77 MEN1 (0.61) MEN1KMT2AMTORALDH1A1MAPK1
SCHEMBL1841176 0.77 MTOR (0.52) MEN1KMT2AMTORALDH1A1MAPK1
SCHEMBL3770156 0.77 MEN1 (0.50) MEN1KMT2AMTORALDH1A1MAPK1

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 5 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
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 MEN1 3217/4885KMT2A 4008/4885MTOR 1/4885

“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.