SCHEMBL1309601

SCHEMBL1309601

c1cc(-c2cc(N3CCOCC3)cc(N3CCOCC3)n2)c2cn[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.60
ATR Q13535 1/20 0.55
PIK3CB P42338 1/20 0.51
PIK3R1 P27986 1/20 0.50
MTOR P42345 1/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CG P48736 1/20 0.50
EPHB4 P54760 1/20 0.48

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
SCHEMBL1310548 0.83 ATR (0.58) PIK3CAATRPIK3CBMTORPIK3CD
SCHEMBL1309356 0.83 PIK3CD (0.64) PIK3CAATRPIK3CBMTORPIK3CD
SCHEMBL4075802 0.79 AR (0.55) PIK3CAATRPIK3CBMTORPIK3CD
SCHEMBL1310034 0.77 ATR (0.55) PIK3CAATRPIK3CBMTORPIK3CD
SCHEMBL1310152 0.77 SYK (0.58) PIK3CAPIK3CDPIK3CG
SCHEMBL1310062 0.77 ROCK2 (0.51) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL18193255 0.75 PIK3CA (0.76) PIK3CAPIK3CBPIK3R1MTORPIK3CD
SCHEMBL1309278 0.75 PIK3CA (0.77) PIK3CAPIK3CBPIK3R1MTORPIK3CD
SCHEMBL10100419 0.74 ROCK2 (0.71) PIK3CAPIK3CBPIK3R1MTORPIK3CD
SCHEMBL12312928 0.73 PIK3CA (0.53) PIK3CAATRPIK3CBPIK3R1PIK3CD

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 2/4885ATR 1107/4885PIK3CB 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.