SCHEMBL442171

SCHEMBL442171

CC1COCCN1c1nc(-c2cc(F)c(N)cc2F)nc2c1CCN(C)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.44
MTOR P42345 15/20 0.44
PIK3CA P42336 11/20 0.44
RPTOR Q8N122 11/20 0.44
MLST8 Q9BVC4 11/20 0.44
PIK3R1 P27986 5/20 0.44
RICTOR Q6R327 5/20 0.44
MAPKAP1 Q9BPZ7 5/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
PIK3C3 Q8NEB9 2/20 0.44
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL442170 1.00 ATR (0.44) ATRMTORPIK3CARPTORMLST8
SCHEMBL441751 0.88 ATR (0.46) ATRMTORPIK3CARPTORMLST8
SCHEMBL441750 0.88 ATR (0.46) ATRMTORPIK3CARPTORMLST8
SCHEMBL446014 0.83 ATR (0.47) ATRMTORPIK3CARPTORMLST8
SCHEMBL446730 0.81 MTOR (0.50) ATRMTORPIK3CARPTORMLST8
SCHEMBL446729 0.81 MTOR (0.50) ATRMTORPIK3CARPTORMLST8
SCHEMBL411978 0.80 MTOR (0.58) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL442360 0.80 MTOR (0.58) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL446348 0.80 MTOR (0.49) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL412907 0.80 MTOR (0.49) MTORPIK3CARPTORMLST8PIK3R1

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 ATR 672/4885MTOR 1/4885PIK3CA 29/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR ATR 672/4885MTOR 1/4885PIK3CA 29/4885

“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.