SCHEMBL1830840

SCHEMBL1830840

O=C(Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1)NC1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.73
CYP3A4 P08684 1/20 0.53
RPTOR Q8N122 1/20 0.53
MLST8 Q9BVC4 1/20 0.53
GAA P10253 1/20 0.52
PIK3CA P42336 3/20 0.51
PIK3R1 P27986 2/20 0.51
PIK3CD O00329 1/20 0.50
PIK3CG P48736 1/20 0.50

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
SCHEMBL1832352 0.94 MTOR (0.74) MTORCYP3A4RPTORMLST8GAA
SCHEMBL1835004 0.92 MTOR (0.74) MTORCYP3A4RPTORMLST8
SCHEMBL1832840 0.90 MTOR (0.77) MTORCYP3A4RPTORMLST8
SCHEMBL1831922 0.85 MTOR (0.79) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1829057 0.85 MTOR (1.00) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1830686 0.85 MTOR (0.73) MTORCYP3A4RPTORMLST8
SCHEMBL1833052 0.85 MTOR (0.73) MTORCYP3A4RPTORMLST8
SCHEMBL1838087 0.84 MTOR (0.94) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL2625345 0.83 MTOR (0.87) MTORCYP3A4RPTORMLST8PIK3CA
SCHEMBL1831860 0.83 MTOR (0.75) MTORCYP3A4RPTORMLST8PIK3CA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP claimed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 EP disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 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 (2 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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885CYP3A4 1677/4885RPTOR 68/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885CYP3A4 1677/4885RPTOR 68/4885

“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.