SCHEMBL1308774

SCHEMBL1308774

Oc1cccc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.73
MTOR P42345 5/20 0.73
PIK3CG P48736 4/20 0.73
PIK3CD O00329 3/20 0.73
PIK3C2B O00750 2/20 0.73
PIK3CB P42338 2/20 0.73
PIK3R1 P27986 2/20 0.73
PIK3C2A O00443 1/20 0.73
CHUK O15111 1/20 0.73
DAPK3 O43293 1/20 0.73
PIK3C2G O75747 1/20 0.73
RAF1 P04049 1/20 0.73
BRAF P15056 1/20 0.73
CSNK2A2 P19784 1/20 0.73
JAK1 P23458 1/20 0.73
TYK2 P29597 1/20 0.73
FLT3 P36888 1/20 0.73
CLK1 P49759 1/20 0.73
CLK2 P49760 1/20 0.73
CLK3 P49761 1/20 0.73

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
SCHEMBL15374748 0.87 LMNA (0.67) PIK3CAMTORPIK3CGPIK3CDPIK3C2B
Pi-103 SCHEMBL258242 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CDPIK3C2B
Pi-103 SCHEMBL30387212 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CDPIK3C2B
Pi-103 SCHEMBL29929906 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CDPIK3C2B
Pi-103 SCHEMBL29676244 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CDPIK3C2B
Pi-103 SCHEMBL29352781 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CDPIK3C2B
Pi-103 SCHEMBL29527390 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CDPIK3C2B
SCHEMBL10092299 0.83 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CDPIK3C2B
SCHEMBL1309789 0.82 ALDH1A1 (0.65) PIK3CAMTORPIK3CGPIK3CDPIK3C2B
SCHEMBL1311667 0.81 LMNA (0.64) PIK3CAMTORPIK3CGPIK3CDPIK3C2B

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 15 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
EP-2364302-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2011-09-14 EP claimed
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 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-20130296316-A1 Antiparasitic Agents Based On mTOR Inhibitors POLLASTRI MICHAEL P (US) 2013-11-07 US disclosed
WO-2012006619-A2 ANTIPARASITIC AGENTS BASED ON mTOR INHIBITORS NORTHEASTERN UNIVERSITY (US) 2012-01-12 WO 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
EP-2364302-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2011-09-14 EP 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
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 (2 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
US-20130296316-A1 Antiparasitic Agents Based On mTOR Inhibitors MTOR, PIK3CD, PIK3C3 PIK3CA 17/4885MTOR 1/4885PIK3CG 4/4885

“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.