SCHEMBL1308922

SCHEMBL1308922

CC(=O)Oc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.53
MTOR P42345 12/20 0.53
PIK3R1 P27986 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
PIK3CG P48736 7/20 0.46
PTGS2 P35354 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL1309291 0.84 PIK3CA (0.52) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CG
SCHEMBL1310155 0.80 PIK3CA (0.65) PIK3CAMTORPIK3R1PIK3CGPTGS2
SCHEMBL1309758 0.79 PIK3CA (0.62) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CG
SCHEMBL1308771 0.79 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL1309488 0.79 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CGPTGS2
SCHEMBL1311056 0.78 PIK3CA (0.58) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CG
SCHEMBL18117963 0.76 PIK3CA (0.55) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CG
SCHEMBL1311434 0.76 PIK3CA (0.65) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL1309374 0.75 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL18117966 0.75 PIK3CA (0.56) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CG

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 PIK3CA 2/4885MTOR 1/4885PIK3R1 21/4885

“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.