SCHEMBL1835666

SCHEMBL1835666

CC(C)(C)OC(=O)N1CCc2c(nc(-c3cnc(N)nc3)nc2N2CCOCC2)C1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.65
PIK3CA P42336 15/20 0.56
PIK3R1 P27986 14/20 0.56
PIK3CD O00329 1/20 0.54
PIK3CB P42338 1/20 0.54
RAF1 P04049 1/20 0.54
BRAF P15056 1/20 0.54
PARP1 P09874 1/20 0.49

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
SCHEMBL2625452 0.93 MTOR (0.64) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1831342 0.88 MTOR (0.73) MTORPIK3CARAF1BRAF
SCHEMBL15189878 0.86 PIK3CA (0.54) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1831756 0.86 PIK3R1 (0.63) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1831758 0.86 PIK3R1 (0.63) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1834098 0.84 MTOR (0.65) MTORPIK3CAPIK3R1RAF1BRAF
SCHEMBL1831437 0.83 MTOR (0.79) MTORPIK3CARAF1BRAF
SCHEMBL7869651 0.81 MTOR (0.72) MTORPIK3CARAF1BRAF
SCHEMBL2625378 0.81 MTOR (0.82) MTORPIK3CA
SCHEMBL441537 0.80 MTOR (0.59) MTORPIK3CAPIK3R1PIK3CDPIK3CB

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 7 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
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 1/4885PIK3CA 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.