SCHEMBL1309871

SCHEMBL1309871

Fc1cc(-c2nc(NCCc3cccnc3)nc(N3CCOCC3)n2)c2nc[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.49
RAD52 P43351 1/20 0.49
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
CSNK1D P48730 1/20 0.42
OGA O60502 2/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK1 Q13464 1/20 0.39

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
SCHEMBL7918133 0.90 PIK3CA (0.48) PIK3CARAD52PIK3CBPIK3CGCSNK1D
SCHEMBL1310021 0.89 PIK3CA (0.54) PIK3CARAD52PIK3CBPIK3CGOGA
SCHEMBL1308679 0.87 PIK3CA (0.56) PIK3CARAD52PIK3CBPIK3CGCSNK1D
SCHEMBL1310072 0.85 PIK3CA (0.62) PIK3CARAD52PIK3CBPIK3CG
SCHEMBL1309608 0.78 PIK3CA (0.57) PIK3CARAD52PIK3CBPIK3CG
SCHEMBL1309913 0.77 RAD52 (0.58) PIK3CARAD52PIK3CBPIK3CGOGA
SCHEMBL1310057 0.77 PIK3CA (0.54) PIK3CARAD52PIK3CBPIK3CGOGA
SCHEMBL1309918 0.77 PIK3CA (0.51) PIK3CARAD52PIK3CBPIK3CGOGA
SCHEMBL1310676 0.77 PIK3CA (0.72) PIK3CARAD52PIK3CG
SCHEMBL1308943 0.77 PIK3CA (0.60) PIK3CARAD52PIK3CBPIK3CGOGA

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 7 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-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 2/4885RAD52 3287/4885PIK3CB 7/4885

“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.