SCHEMBL1829481

SCHEMBL1829481

CCC(=O)N1CCc2c(nc(-c3ccc(NC(=O)NCC(F)(F)F)cc3)nc2N2CCOCC2C)C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.68
PIK3CA P42336 3/20 0.68
KCNH2 Q12809 1/20 0.68
CYP3A4 P08684 5/20 0.66
RPTOR Q8N122 5/20 0.65
MLST8 Q9BVC4 5/20 0.65

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
SCHEMBL1829477 1.00 MTOR (0.68) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1831850 0.93 MTOR (0.74) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1831847 0.93 MTOR (0.74) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1831505 0.92 MTOR (0.79) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1831506 0.92 MTOR (0.79) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1838415 0.90 MTOR (0.69) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1838417 0.90 MTOR (0.69) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1832085 0.89 MTOR (0.65) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL1832082 0.89 MTOR (0.65) MTORPIK3CAKCNH2CYP3A4RPTOR
SCHEMBL9958949 0.89 MTOR (0.61) MTORPIK3CAKCNH2CYP3A4RPTOR

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 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
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 4/4885KCNH2 4005/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885PIK3CA 4/4885KCNH2 4005/4885

“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.