SCHEMBL1311252

SCHEMBL1311252

c1ccc(CNc2nc(-c3cccnc3)nc(N3CCOCC3)n2)nc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.54
PIK3CG P48736 3/20 0.54
PIK3CB P42338 2/20 0.54
RAD52 P43351 1/20 0.53
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KCNA5 P22460 1/20 0.48
KCNH2 Q12809 1/20 0.48
MTOR P42345 1/20 0.47
GBA1 P04062 1/20 0.47
PDE10A Q9Y233 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1309106 0.91 PIK3CA (0.52) PIK3CAPIK3CGPIK3CBRAD52HTT
SCHEMBL1308757 0.86 PIK3CA (0.65) PIK3CAPIK3CGPIK3CBHTTALDH1A1
SCHEMBL1310800 0.85 PIK3CA (0.61) PIK3CAPIK3CGPIK3CBHTTALDH1A1
SCHEMBL1309655 0.84 PIK3CA (0.73) PIK3CAPIK3CGPIK3CBMTOR
SCHEMBL1311136 0.81 PIK3CA (0.53) PIK3CAPIK3CGPIK3CBHTTALDH1A1
SCHEMBL30740037 0.81 HTT (0.57) PIK3CAPIK3CGPIK3CBRAD52HTT
SCHEMBL1311298 0.80 HTT (0.66) PIK3CAPIK3CGPIK3CBHTTALDH1A1
SCHEMBL1309502 0.80 HTT (0.56) PIK3CAPIK3CGPIK3CBRAD52HTT
SCHEMBL1309486 0.80 PIK3CA (0.55) PIK3CAPIK3CGPIK3CBHTT
SCHEMBL1309847 0.80 PIK3CA (0.49) PIK3CAPIK3CGPIK3CBHTT

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 6 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

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.