SCHEMBL1311223

SCHEMBL1311223

Oc1cccc(-c2nc(NCc3ccccc3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.77
HTT P42858 1/20 0.68
LMNA P02545 2/20 0.61
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
MTOR P42345 1/20 0.55
TPH1 P17752 1/20 0.54

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
SCHEMBL1309378 0.93 PIK3CA (0.71) PIK3CAHTTLMNAALDH1A1GAA
SCHEMBL1309889 0.90 PIK3CA (0.72) PIK3CAHTT
SCHEMBL12498708 0.87 PIK3CA (1.00) PIK3CAHTTKMT2AMTORTPH1
SCHEMBL1309655 0.85 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL12499847 0.84 PIK3CA (1.00) PIK3CAKMT2AMTORTPH1
SCHEMBL1308947 0.84 PIK3CA (0.70) PIK3CAMTOR
SCHEMBL1309868 0.83 PIK3CA (0.72) PIK3CA
SCHEMBL1311669 0.83 PIK3CA (0.82) PIK3CAKMT2AMTOR
SCHEMBL12498477 0.83 PIK3CA (0.68) PIK3CAHTTKMT2AMTORTPH1
SCHEMBL4128509 0.83 PIK3CB (0.63) PIK3CAHTT

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 2/4885HTT 3381/4885LMNA 2709/4885

“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.