SCHEMBL3422884

SCHEMBL3422884

c1ncc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)nc3n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.40
PIK3CD O00329 11/20 0.40
PIK3CB P42338 10/20 0.40
PIK3CG P48736 10/20 0.40
MTOR P42345 8/20 0.39
RPTOR Q8N122 1/20 0.38
MLST8 Q9BVC4 1/20 0.38
PIK3R1 P27986 2/20 0.37

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
SCHEMBL12110507 0.81 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1309206 0.77 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL3418876 0.75 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL3418867 0.74 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1311868 0.73 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1310382 0.73 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1309797 0.73 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL7917302 0.73 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1309917 0.73 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1310019 0.72 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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
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
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 3/4885PIK3CB 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.