SCHEMBL1311087

SCHEMBL1311087

c1cc2cc(-c3nc(N4CCOCC4)c4ocnc4n3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.59
MTOR P42345 13/20 0.59
PIK3CG P48736 9/20 0.59
CYP2C9 P11712 1/20 0.49
ATR Q13535 1/20 0.49
GRIA1 P42261 1/20 0.48
JAK2 O60674 1/20 0.46
PRKDC P78527 2/20 0.46
AURKB Q96GD4 1/20 0.44
PIK3CD O00329 3/20 0.43
PIK3CB P42338 1/20 0.43

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
SCHEMBL1309866 0.85 PIK3CA (0.55) PIK3CAMTORPIK3CGCYP2C9GRIA1
SCHEMBL1309369 0.84 PIK3CA (0.53) PIK3CAMTORPIK3CGGRIA1PIK3CD
SCHEMBL1311399 0.81 PIK3CA (0.63) PIK3CAMTORPIK3CGCYP2C9GRIA1
SCHEMBL1310841 0.80 PIK3CA (0.58) PIK3CAMTORPIK3CGCYP2C9ATR
SCHEMBL1309491 0.78 PIK3CA (0.46) PIK3CAMTORPIK3CGPRKDCPIK3CD
SCHEMBL1311106 0.78 PIK3CA (0.63) PIK3CAMTORPIK3CGATRPRKDC
SCHEMBL4556151 0.77 PIK3CA (0.60) PIK3CAMTORPIK3CGCYP2C9ATR
SCHEMBL1308205 0.77 PIK3CA (0.66) PIK3CAMTORPIK3CGPRKDCPIK3CD
SCHEMBL1311008 0.77 PIK3CA (0.58) PIK3CAMTORPIK3CGCYP2C9ATR
SCHEMBL3991978 0.77 PIK3CA (0.61) PIK3CAMTORPIK3CGCYP2C9ATR

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 2/4885MTOR 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.