SCHEMBL1311052

SCHEMBL1311052

Nc1cccc(-c2nc(NCCc3ccccn3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.57
PIK3CG P48736 5/20 0.57
PIK3CB P42338 4/20 0.57
PIK3CD O00329 1/20 0.49
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
JAK2 O60674 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1309956 0.89 PIK3CA (0.57) PIK3CAPIK3CGPIK3CBPIK3CDMEN1
SCHEMBL1309997 0.89 PIK3CA (0.73) PIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL1309834 0.87 PIK3CA (0.58) PIK3CAPIK3CGPIK3CBPIK3CDHTT
SCHEMBL1309583 0.86 PIK3CA (0.55) PIK3CAPIK3CGPIK3CBPIK3CDMEN1
SCHEMBL1310482 0.85 PIK3CA (0.61) PIK3CAPIK3CGPIK3CBPIK3CDHTT
SCHEMBL1311734 0.83 PIK3CA (0.57) PIK3CAPIK3CGPIK3CBPIK3CDMEN1
SCHEMBL1311138 0.80 PIK3CA (0.62) PIK3CAPIK3CGPIK3CBPIK3CDMEN1
SCHEMBL1309950 0.80 PIK3CA (0.55) PIK3CAPIK3CGPIK3CBMEN1ALOX15
SCHEMBL1309655 0.80 PIK3CA (0.73) PIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL12499065 0.79 PIK3CA (0.80) PIK3CAPIK3CGPIK3CDMEN1KMT2A

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 2/4885PIK3CG 16/4885PIK3CB 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.