SCHEMBL445775

SCHEMBL445775

CCC1c2c(nc(-c3ccc(NC(=O)NCCO)c(F)c3)nc2N2CCOCC2C)CN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.48
PIK3CA P42336 4/20 0.46
RPTOR Q8N122 6/20 0.45
MLST8 Q9BVC4 6/20 0.45
CYP3A4 P08684 3/20 0.45
KCNH2 Q12809 1/20 0.44
PIK3R1 P27986 1/20 0.44

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
SCHEMBL445776 1.00 MTOR (0.48) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL446724 0.94 MTOR (0.53) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL446723 0.94 MTOR (0.53) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL443627 0.85 MTOR (0.58) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL16265989 0.84 MTOR (0.57) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL16266020 0.82 MTOR (0.67) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL413936 0.81 MTOR (0.56) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL441914 0.80 MTOR (0.53) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL441913 0.80 MTOR (0.53) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL16265971 0.79 MTOR (0.55) MTORPIK3CARPTORMLST8CYP3A4

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-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 EP disclosed
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
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
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 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-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 29/4885RPTOR 3/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 29/4885RPTOR 3/4885

“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.