SCHEMBL1311652

SCHEMBL1311652

c1cnc2sc3c(N4CCOCC4)nc(-c4cn[nH]c4)nc3c2c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.74
PIK3CD O00329 8/20 0.61
PIK3CG P48736 7/20 0.61
PIK3CB P42338 1/20 0.61
PRKCI P41743 2/20 0.60
MTOR P42345 4/20 0.45
PIK3R1 P27986 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
SCHEMBL1309939 0.85 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBPRKCI
SCHEMBL10092302 0.80 PIK3CA (0.78) PIK3CAPIK3CDPIK3CGPIK3CBPRKCI
SCHEMBL15374745 0.80 PIK3CA (0.78) PIK3CAPIK3CDPIK3CGPIK3CBPRKCI
SCHEMBL1310080 0.79 PIK3CA (0.76) PIK3CAPIK3CDPIK3CGPIK3CBPRKCI
SCHEMBL1310861 0.79 PIK3CA (0.74) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1164956 0.78 PIK3CA (0.71) PIK3CAPIK3CDPIK3CGPIK3CBPRKCI
SCHEMBL1164587 0.76 PIK3CA (0.77) PIK3CAPIK3CDPIK3CGPIK3CBPRKCI
SCHEMBL1310581 0.76 PIK3CD (1.00) PIK3CAPIK3CDPIK3CGPIK3CBPRKCI
SCHEMBL14986509 0.75 PRKCI (1.00) PIK3CAPIK3CDPIK3CGPIK3CBPRKCI
SCHEMBL1311958 0.73 LMNA (0.60) PIK3CAPIK3CDPIK3CGPIK3CBMTOR

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 2/4885PIK3CD 3/4885PIK3CG 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.