SCHEMBL1830801

SCHEMBL1830801

CC1COCCN1c1nc(-c2ccc(N)nc2)nc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.62
PIK3R1 P27986 18/20 0.60
PIK3CA P42336 18/20 0.60
RICTOR Q6R327 4/20 0.60
RPTOR Q8N122 4/20 0.60
MAPKAP1 Q9BPZ7 4/20 0.60
MLST8 Q9BVC4 4/20 0.60
PIK3CD O00329 1/20 0.60
PIK3CB P42338 1/20 0.60
PIK3CG P48736 1/20 0.60
PIK3C3 Q8NEB9 1/20 0.60

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
SCHEMBL1830803 1.00 MTOR (0.62) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL1831756 0.91 PIK3R1 (0.63) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL1831758 0.91 PIK3R1 (0.63) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL1831932 0.90 MTOR (0.68) MTORPIK3R1PIK3CARPTORMLST8
SCHEMBL1831936 0.90 MTOR (0.68) MTORPIK3R1PIK3CARPTORMLST8
SCHEMBL15196053 0.87 MTOR (0.67) MTORPIK3R1PIK3CARPTORMLST8
SCHEMBL1830198 0.87 MTOR (0.61) MTORPIK3R1PIK3CARPTORMLST8
SCHEMBL1830197 0.87 MTOR (0.61) MTORPIK3R1PIK3CARPTORMLST8
SCHEMBL1837134 0.86 MTOR (0.59) MTORPIK3R1PIK3CARPTORMLST8
SCHEMBL1837137 0.86 MTOR (0.59) MTORPIK3R1PIK3CARPTORMLST8

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 1/4885PIK3R1 151/4885PIK3CA 4/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885PIK3R1 151/4885PIK3CA 4/4885

“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.