SCHEMBL1310883

SCHEMBL1310883

C/C=C\C(=O)N1CCN(c2nc(-c3cccc(O)c3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.60
MTOR P42345 1/20 0.57
PIK3R1 P27986 1/20 0.55
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
PIK3CD O00329 1/20 0.47

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
SCHEMBL1310887 1.00 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL1309226 0.89 PIK3CA (0.64) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL908873 0.85 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL1311669 0.83 PIK3CA (0.82) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL908530 0.81 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL910378 0.81 PIK3CA (0.66) PIK3CAMTORPIK3R1
SCHEMBL1309999 0.77 PIK3CA (0.63) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL908397 0.77 PIK3CA (0.72) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL1310660 0.77 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL1310662 0.77 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CBPIK3CG

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 6 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

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.