SCHEMBL7913783

SCHEMBL7913783

CN1CCN(Cc2nc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.50
PIK3CD O00329 5/20 0.50
PIK3CG P48736 5/20 0.50
PIK3CB P42338 4/20 0.50
MTOR P42345 9/20 0.49
PIK3R1 P27986 5/20 0.49
RICTOR Q6R327 2/20 0.46
RPTOR Q8N122 2/20 0.46
MAPKAP1 Q9BPZ7 2/20 0.46
MLST8 Q9BVC4 2/20 0.46
HDAC1 Q13547 3/20 0.45
PARP1 P09874 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 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
SCHEMBL1309827 0.90 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1309312 0.82 ROCK2 (0.52) PIK3CAPIK3CDPIK3CGPIK3CBPARP1
SCHEMBL1309899 0.81 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1310019 0.81 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1310187 0.80 PIK3CA (0.44) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1311048 0.80 PIK3CA (0.64) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1312406 0.79 PIK3CA (0.49) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1310418 0.79 PIK3CA (0.54) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1310263 0.75 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1310334 0.75 PIK3CA (0.60) PIK3CAPIK3CDPIK3CGPIK3CBMTOR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2/4885PIK3CD 3/4885PIK3CG 16/4885

“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.