SCHEMBL1309844

SCHEMBL1309844

OCc1ccnc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.50
PIK3CA P42336 13/20 0.50
PIK3CG P48736 3/20 0.50
PIK3R1 P27986 4/20 0.48
HTT P42858 1/20 0.45
PIK3CD O00329 2/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 2/20 0.43
EPHB4 P54760 1/20 0.42

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
SCHEMBL18117953 0.83 ALDH1A1 (0.44) MTORPIK3CAPIK3R1HTTTSHR
SCHEMBL1310027 0.81 PIK3CA (0.52) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL1309387 0.80 MTOR (0.56) MTORPIK3CAPIK3CGPIK3R1HTT
SCHEMBL1311065 0.80 PIK3CA (0.58) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL1311814 0.80 PIK3CA (0.51) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL1309238 0.80 PIK3CA (0.51) MTORPIK3CAPIK3CGPIK3R1HTT
SCHEMBL1310991 0.76 MAP3K12 (0.52) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL12111338 0.76 ALDH1A1 (0.51) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL18117938 0.76 PIK3CA (0.48) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL1309279 0.76 PIK3CA (0.61) MTORPIK3CAPIK3R1HTTPIK3CD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364302-B1 TRIAZINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIV BASEL (CH) 2016-10-05 EP 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-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 MTOR 1/4885PIK3CA 2/4885PIK3CG 16/4885

“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.