SCHEMBL1311136

SCHEMBL1311136

c1ccc(COc2nc(-c3cccnc3)nc(N3CCOCC3)n2)nc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.53
PIK3CG P48736 5/20 0.53
PIK3CB P42338 4/20 0.53
PDE10A Q9Y233 1/20 0.53
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GBA1 P04062 1/20 0.47
PTGS2 P35354 1/20 0.46
MTOR P42345 3/20 0.45
PIK3R1 P27986 1/20 0.44
PIK3CD O00329 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL1309928 0.91 PIK3CA (0.52) PIK3CAPIK3CGPIK3CBPDE10APTGS2
SCHEMBL1309178 0.86 PIK3CA (0.65) PIK3CAPIK3CGPIK3CBPTGS2MTOR
SCHEMBL1308933 0.85 PIK3CA (0.61) PIK3CAPIK3CGPIK3CBPTGS2MTOR
SCHEMBL1309874 0.84 PIK3CA (0.71) PIK3CAPIK3CGPIK3CBMTORPIK3R1
SCHEMBL1311252 0.81 PIK3CA (0.54) PIK3CAPIK3CGPIK3CBPDE10AALDH1A1
SCHEMBL1311298 0.80 HTT (0.66) PIK3CAPIK3CGPIK3CBALDH1A1HTT
SCHEMBL1310015 0.80 PTGS2 (0.67) PIK3CAPIK3CGPIK3CBSMN1; SMN2PTGS2
SCHEMBL1311084 0.80 PIK3CA (0.58) PIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL1311866 0.80 PIK3CA (0.57) PIK3CAPIK3CGPIK3CBPTGS2PIK3CD
SCHEMBL1308970 0.79 PIK3CA (0.75) PIK3CAPIK3CGPIK3CBPTGS2MTOR

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 2/4885PIK3CG 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.