SCHEMBL1831960

SCHEMBL1831960

C[C@H]1COCCN1c1nc(-c2ccc(N)cc2)nc2c1CCN(c1cnccn1)C2

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.71
RPTOR Q8N122 10/20 0.71
MLST8 Q9BVC4 10/20 0.71
CYP3A4 P08684 4/20 0.55
PIK3R1 P27986 5/20 0.49
PIK3CA P42336 5/20 0.49
RICTOR Q6R327 5/20 0.49
MAPKAP1 Q9BPZ7 5/20 0.49
PIK3CD O00329 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
PIK3C3 Q8NEB9 2/20 0.49
KCNH2 Q12809 1/20 0.46

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
SCHEMBL1831970 1.00 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3R1
SCHEMBL3223627 0.89 MTOR (0.57) MTORRPTORMLST8CYP3A4PIK3R1
SCHEMBL3223650 0.89 MTOR (0.57) MTORRPTORMLST8CYP3A4PIK3R1
SCHEMBL1835659 0.88 MTOR (0.69) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1835660 0.88 MTOR (0.69) MTORRPTORMLST8CYP3A4PIK3CA
SCHEMBL1830389 0.86 MTOR (0.69) MTORRPTORMLST8CYP3A4PIK3R1
SCHEMBL1830393 0.86 MTOR (0.69) MTORRPTORMLST8CYP3A4PIK3R1
SCHEMBL2625409 0.84 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3R1
SCHEMBL9951464 0.84 MTOR (0.71) MTORRPTORMLST8CYP3A4PIK3R1
SCHEMBL2101064 0.83 MTOR (1.00) MTORRPTORMLST8CYP3A4PIK3CA

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-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-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
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 1/4885RPTOR 68/4885MLST8 61/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885RPTOR 68/4885MLST8 61/4885

“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.