SCHEMBL2625344

SCHEMBL2625344

Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.64
PIK3CD O00329 7/20 0.59
PIK3CA P42336 10/20 0.53
PIK3R1 P27986 1/20 0.53
PIK3CG P48736 6/20 0.46
CYP3A4 P08684 1/20 0.42
RPTOR Q8N122 1/20 0.42
MLST8 Q9BVC4 1/20 0.42

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
SCHEMBL1829935 0.91 MTOR (0.65) MTORPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL1832656 0.91 MTOR (0.75) MTORPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL1832649 0.87 MTOR (0.67) MTORPIK3CDPIK3CAPIK3CGCYP3A4
SCHEMBL1830875 0.84 MTOR (0.61) MTORPIK3CDPIK3CAPIK3CGCYP3A4
SCHEMBL15196040 0.84 PIK3CD (0.51) MTORPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15196082 0.82 PIK3CD (0.49) MTORPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL1831188 0.82 MTOR (0.68) MTORPIK3CAPIK3R1PIK3CGCYP3A4
SCHEMBL1831922 0.82 MTOR (0.79) MTORPIK3CAPIK3R1CYP3A4RPTOR
SCHEMBL15190028 0.81 MTOR (0.62) MTORPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL1831860 0.80 MTOR (0.75) MTORPIK3CDPIK3CAPIK3R1PIK3CG

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 8 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-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
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

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 1/4885PIK3CD 13/4885PIK3CA 4/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885PIK3CD 13/4885PIK3CA 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.