SCHEMBL1309729

SCHEMBL1309729

c1ccc(COc2nc(-c3ccc4[nH]ccc4c3)nc(N3CCOCC3)n2)nc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.66
PIK3CG P48736 4/20 0.51
PIK3CB P42338 3/20 0.51
MTOR P42345 4/20 0.49
ATR Q13535 2/20 0.49
CYP2C9 P11712 1/20 0.49
GRIA1 P42261 1/20 0.44
JAK2 O60674 1/20 0.44
PTGS2 P35354 1/20 0.42
TYK2 P29597 1/20 0.42
SYK P43405 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
PARP1 P09874 1/20 0.42
PRKDC P78527 1/20 0.41

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
SCHEMBL1308970 0.94 PIK3CA (0.75) PIK3CAPIK3CGPIK3CBMTORATR
SCHEMBL1308604 0.86 PIK3CA (0.55) PIK3CAPIK3CGPIK3CBMTORPTGS2
SCHEMBL1311084 0.86 PIK3CA (0.58) PIK3CAPIK3CGPIK3CBCYP2C9GRIA1
SCHEMBL1309024 0.84 PIK3CA (0.57) PIK3CAPIK3CGPIK3CBMTORGRIA1
SCHEMBL1308583 0.83 PIK3CA (0.52) PIK3CAPIK3CGPIK3CBMTORATR
SCHEMBL1311866 0.83 PIK3CA (0.57) PIK3CAPIK3CGPIK3CBPTGS2SYK
SCHEMBL1309874 0.82 PIK3CA (0.71) PIK3CAPIK3CGPIK3CBMTOR
SCHEMBL1309288 0.81 PIK3CA (0.59) PIK3CAPIK3CGPIK3CBMTORATR
SCHEMBL1311008 0.81 PIK3CA (0.58) PIK3CAPIK3CGPIK3CBMTORATR
SCHEMBL1309928 0.79 PIK3CA (0.52) PIK3CAPIK3CGPIK3CBMTORPTGS2

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 13 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 claimed
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 claimed
EP-2364302-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2011-09-14 EP claimed
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 claimed
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
EP-2364302-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2011-09-14 EP 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
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.