SCHEMBL1311642

SCHEMBL1311642

c1cc(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)c2cc[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 15/20 0.60
PIK3CA P42336 9/20 0.60
MTOR P42345 6/20 0.60
PIK3CD O00329 4/20 0.60
PRKDC P78527 1/20 0.60
ATRIP Q8WXE1 1/20 0.56
PIK3CB P42338 3/20 0.53
PIK3CG P48736 3/20 0.53

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
SCHEMBL1309356 0.83 PIK3CD (0.64) ATRPIK3CAMTORPIK3CDPRKDC
SCHEMBL15269030 0.82 PIK3CD (0.63) ATRPIK3CAMTORPIK3CDPRKDC
SCHEMBL3595465 0.82 ATR (0.66) ATRPIK3CAMTORPIK3CDPRKDC
SCHEMBL29397370 0.82 ATR (0.66) ATRPIK3CAMTORPIK3CDPRKDC
SCHEMBL19147383 0.82 ATR (0.70) ATRPIK3CAMTORPIK3CDPRKDC
SCHEMBL3591720 0.81 ATR (0.69) ATRPIK3CAMTORPIK3CDPRKDC
SCHEMBL1310548 0.81 ATR (0.58) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL19146366 0.79 ATR (0.77) ATRPIK3CAMTORPIK3CDPRKDC
SCHEMBL13142276 0.79 PIK3CD (0.60) ATRPIK3CAMTORPIK3CDPRKDC
SCHEMBL1312084 0.79 ATR (0.58) ATRPIK3CAMTORPIK3CDPRKDC

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 ATR 1107/4885PIK3CA 2/4885MTOR 1/4885

“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.