SCHEMBL441257

SCHEMBL441257

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 1.00
CYP3A4 P08684 2/20 0.74
PIK3CA P42336 3/20 0.68
KCNH2 Q12809 1/20 0.66
RPTOR Q8N122 2/20 0.64
MLST8 Q9BVC4 2/20 0.64

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
SCHEMBL441138 1.00 MTOR (1.00) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831606 1.00 MTOR (1.00) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL413783 0.95 MTOR (0.90) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1831120 0.95 MTOR (0.90) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL444565 0.95 MTOR (0.90) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL441316 0.95 MTOR (0.90) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL441315 0.95 MTOR (0.90) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1832025 0.93 MTOR (0.87) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1832024 0.93 MTOR (0.87) MTORCYP3A4PIK3CAKCNH2RPTOR
SCHEMBL1830455 0.92 MTOR (0.85) MTORCYP3A4PIK3CAKCNH2RPTOR

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 15 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-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
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-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
EP-2406258-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Cellzome Limited (GB) 2012-01-18 EP disclosed
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 EP disclosed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 WO 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 (4 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-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885CYP3A4 2179/4885PIK3CA 29/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885CYP3A4 2179/4885PIK3CA 29/4885
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885CYP3A4 1677/4885PIK3CA 4/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885CYP3A4 1677/4885PIK3CA 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.