SCHEMBL2097802

SCHEMBL2097802

CC1COCCN1c1nc(-c2ccc3[nH]c(=O)ccc3c2)nc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.59
ATR Q13535 6/20 0.49
PIK3CA P42336 3/20 0.46
KCNH2 Q12809 1/20 0.46
RPTOR Q8N122 3/20 0.45
MLST8 Q9BVC4 3/20 0.45
PIK3R1 P27986 2/20 0.45
CYP3A4 P08684 2/20 0.45

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
SCHEMBL1830344 1.00 MTOR (0.59) MTORATRPIK3CAKCNH2RPTOR
SCHEMBL3235002 0.90 ATR (0.54) MTORATRPIK3CAKCNH2RPTOR
SCHEMBL1841378 0.90 MTOR (0.60) MTORATRPIK3CAKCNH2RPTOR
SCHEMBL1841380 0.90 MTOR (0.60) MTORATRPIK3CAKCNH2RPTOR
SCHEMBL1831936 0.84 MTOR (0.68) MTORATRPIK3CAKCNH2RPTOR
SCHEMBL1831932 0.84 MTOR (0.68) MTORATRPIK3CAKCNH2RPTOR
SCHEMBL15196053 0.84 MTOR (0.67) MTORATRPIK3CAKCNH2RPTOR
SCHEMBL1830197 0.84 MTOR (0.61) MTORATRPIK3CAKCNH2RPTOR
SCHEMBL1830198 0.84 MTOR (0.61) MTORATRPIK3CAKCNH2RPTOR
SCHEMBL10221876 0.83 MTOR (0.58) MTORATRPIK3CAKCNH2RPTOR

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 claimed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US claimed
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
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US 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 1/4885ATR 419/4885PIK3CA 4/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885ATR 419/4885PIK3CA 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.