SCHEMBL1309526

SCHEMBL1309526

N#Cc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.66
MTOR P42345 11/20 0.66
PIK3R1 P27986 3/20 0.66
ALDH1A1 P00352 2/20 0.64
PIK3CG P48736 9/20 0.60
HRH4 Q9H3N8 1/20 0.58
AR P10275 1/20 0.54
PIK3CD O00329 1/20 0.53
PIK3CB P42338 1/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL1309607 0.83 HRH4 (0.61) PIK3CAMTORPIK3R1ALDH1A1PIK3CG
SCHEMBL3881365 0.80 HSD11B1 (0.55) PIK3CAMTORPIK3R1ALDH1A1PIK3CG
SCHEMBL1311063 0.80 PIK3CA (0.56) PIK3CAMTORPIK3R1ALDH1A1PIK3CG
SCHEMBL1309097 0.80 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL1309370 0.80 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL32322 0.79 PIK3CA (0.71) PIK3CAMTORPIK3CG
SCHEMBL6742541 0.78 MTOR (0.73) PIK3CAMTORPIK3R1ALDH1A1PIK3CG
SCHEMBL1310041 0.78 MTOR (0.69) PIK3CAMTORPIK3R1PIK3CGHRH4
SCHEMBL1431667 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL12111338 0.76 ALDH1A1 (0.51) PIK3CAMTORPIK3R1ALDH1A1PIK3CG

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216793-B1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2019-03-27 EP disclosed
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors PFIZER INC. (US) 2018-07-17 US disclosed
EP-3216793-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2017-09-13 EP disclosed
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC 2017-08-10 US disclosed
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2017-05-04 US disclosed
EP-2294072-B1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2017-03-29 EP disclosed
US-9174963-B2 Triazine compounds as PI3 kinase and MTOR inhibitors PFIZER INC. (US) 2015-11-03 US disclosed
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC 2015-01-08 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-8039469-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2011-10-18 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
CN-102036995-A Triazine compounds as inhibitors of PI3 kinase and mTOR WYETH CORP 2011-04-27 CN disclosed
EP-2300483-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2011-03-30 EP disclosed
EP-2294072-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2011-03-16 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
US-20090304692-A1 Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease WYETH (US) 2009-12-10 US disclosed
WO-2009143317-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH (US) 2009-11-26 WO disclosed
US-20090291079-A1 Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease WYETH (US) 2009-11-26 US disclosed
WO-2009143313-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH (US) 2009-11-26 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 (6 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-20090291079-A1 Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease MTOR, PIK3CA, PIK3R3 PIK3CA 2/4885MTOR 1/4885PIK3R1 6/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3R1 5/4885
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3R1 5/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3R1 5/4885
US-20090304692-A1 Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease MTOR, PIK3CA, PIK3R3 PIK3CA 2/4885MTOR 1/4885PIK3R1 6/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3R1 5/4885

“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.