SCHEMBL1310169

SCHEMBL1310169

CN1CCN(Cc2nc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.73
MTOR P42345 7/20 0.60
PIK3CG P48736 7/20 0.59
PIK3CB P42338 4/20 0.59
PIK3C2B O00750 1/20 0.59
CCNE2 O96020 1/20 0.59
PRKACA P17612 1/20 0.59
PRKACG P22612 1/20 0.59
PRKACB P22694 1/20 0.59
CCNE1 P24864 1/20 0.59
CDK2 P24941 1/20 0.59
KDR P35968 1/20 0.59
PIK3CD O00329 5/20 0.58
PIK3R1 P27986 1/20 0.56
ADORA3 P0DMS8 1/20 0.49
ADORA1 P30542 1/20 0.49

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
SCHEMBL1311366 0.92 PIK3CA (0.73) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1308900 0.89 PIK3CA (0.75) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1309662 0.86 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1309501 0.86 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1310195 0.86 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1310024 0.86 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1310378 0.86 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1310660 0.86 PIK3CA (0.57) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1310662 0.86 PIK3CA (0.57) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL960078 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CBPIK3C2B

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 9 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
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 2/4885MTOR 1/4885PIK3CG 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.