SCHEMBL1310155

SCHEMBL1310155

CC(=O)Oc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.65
MTOR P42345 16/20 0.65
PIK3R1 P27986 11/20 0.65
RICTOR Q6R327 2/20 0.45
RPTOR Q8N122 2/20 0.45
MAPKAP1 Q9BPZ7 2/20 0.45
MLST8 Q9BVC4 2/20 0.45
PIK3CG P48736 3/20 0.44
PIK3CD O00329 2/20 0.44
PIK3C2B O00750 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3C3 Q8NEB9 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
PRKDC P78527 1/20 0.43
PTGS2 P35354 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1310488 0.85 MTOR (0.59) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL1309112 0.84 PIK3CA (0.62) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1309758 0.81 PIK3CA (0.62) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1308922 0.80 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CGPTGS2
SCHEMBL1309816 0.79 PIK3CA (0.68) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1310736 0.79 PIK3CA (1.00) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1311234 0.79 PIK3CA (0.71) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL18117945 0.76 PIK3CA (0.63) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1310313 0.75 PIK3CA (0.68) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1309060 0.75 PIK3CA (0.90) PIK3CAMTORPIK3R1RICTORRPTOR

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-2364302-B1 TRIAZINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIV BASEL (CH) 2016-10-05 EP disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
WO-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 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 (1 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-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3R1 21/4885

“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.