SCHEMBL1308679

SCHEMBL1308679

Fc1cc(-c2nc(NCCc3cccnc3)nc(N3CCOCC3)n2)c2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.56
RAD52 P43351 1/20 0.50
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
ATR Q13535 2/20 0.43
HTT P42858 1/20 0.41
MTOR P42345 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.41
CSNK1D P48730 1/20 0.40

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
SCHEMBL1309852 0.90 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGATRMTOR
SCHEMBL1310057 0.90 PIK3CA (0.54) PIK3CARAD52PIK3CBPIK3CGATR
SCHEMBL1310072 0.89 PIK3CA (0.62) PIK3CARAD52PIK3CBPIK3CG
SCHEMBL1309608 0.89 PIK3CA (0.57) PIK3CARAD52PIK3CBPIK3CGMTOR
SCHEMBL1311097 0.87 PIK3CA (0.52) PIK3CARAD52PIK3CBPIK3CGATR
SCHEMBL1309871 0.87 PIK3CA (0.49) PIK3CARAD52PIK3CBPIK3CGHTT
SCHEMBL370181 0.86 PIK3CA (0.66) PIK3CARAD52PIK3CBPIK3CGATR
SCHEMBL1028146 0.86 PIK3CA (0.71) PIK3CARAD52PIK3CBPIK3CGATR
SCHEMBL1029257 0.86 PIK3CA (0.56) PIK3CAPIK3CBPIK3CGATRMTOR
SCHEMBL1311145 0.85 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGATRMTOR

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 2/4885RAD52 3287/4885PIK3CB 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.