SCHEMBL2625354

SCHEMBL2625354

C[C@H]1COCCN1c1nc(-c2ccc(N)cc2)nc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.74
PIK3CA P42336 8/20 0.52
PIK3R1 P27986 6/20 0.52
CYP3A4 P08684 1/20 0.52
ATR Q13535 2/20 0.49
PIK3CG P48736 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL1831932 0.93 MTOR (0.68) MTORPIK3CAPIK3R1CYP3A4ATR
SCHEMBL1831936 0.93 MTOR (0.68) MTORPIK3CAPIK3R1CYP3A4ATR
SCHEMBL15196064 0.92 MTOR (0.74) MTORPIK3CAPIK3R1CYP3A4ATR
SCHEMBL7947025 0.90 MTOR (0.80) MTORPIK3CACYP3A4
SCHEMBL2625355 0.90 MTOR (0.72) MTORPIK3CAPIK3R1CYP3A4ATR
SCHEMBL1832099 0.90 MTOR (0.71) MTORPIK3CAPIK3R1CYP3A4ATR
SCHEMBL1832097 0.90 MTOR (0.71) MTORPIK3CAPIK3R1CYP3A4ATR
SCHEMBL7869651 0.86 MTOR (0.72) MTORPIK3CAATRPIK3CGAURKB
SCHEMBL441257 0.85 MTOR (1.00) MTORPIK3CACYP3A4
SCHEMBL1831606 0.85 MTOR (1.00) MTORPIK3CACYP3A4

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

“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.