SCHEMBL1409412

SCHEMBL1409412

CC(C)(C)OC(=O)N1CC(Nc2nc(Cl)nc(N3CC4CCC(C3)O4)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
KMT2A Q03164 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
IDH1 O75874 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP30 Q70CQ3 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
BTK Q06187 2/20 0.34
IDH2 P48735 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL1408638 0.84 GPR119 (0.45) ADORA2AKMT2APIK3CAMTORMAPT
SCHEMBL1409252 0.81 PIK3CA (0.44) ADORA2APIK3CAMTORIDH1USP30
SCHEMBL6240664 0.78 ALOX5 (0.49) ADORA2AKMT2AIDH1ALDH1A1NPC1
SCHEMBL1409264 0.78 KMT2A (0.43) ADORA2AKMT2AMTORMAPK1
SCHEMBL10156216 0.77 IDH1 (0.52) ADORA2AIDH1ALDH1A1NPC1MAPT
SCHEMBL1409389 0.75 PDE4A (0.51) KMT2AALDH1A1MAPTMAPK1HTT
SCHEMBL27227762 0.74 EHMT2 (0.42) KMT2AEHMT2ALDH1A1NPC1MAPT
SCHEMBL12197154 0.73 IDH1 (0.47) ADORA2AIDH1ALDH1A1NPC1MAPT
SCHEMBL6236095 0.72 GPR119 (0.44) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31197150 0.71 NR1H2 (0.50) KMT2AALDH1A1MAPTGPR119

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 24 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-8859542-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2014-10-14 US disclosed
US-20140248239-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2014-09-04 US disclosed
US-20130109670-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS PFIZER INC. (US) 2013-05-02 US disclosed
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC 2013-01-03 US disclosed
US-8217036-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2012-07-10 US disclosed
US-8039469-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2011-10-18 US 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
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
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-2009143317-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH (US) 2009-11-26 WO 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 (9 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 ADORA2A 3921/4885KMT2A 4279/4885PIK3CA 2/4885
US-20130109670-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA ADORA2A 2156/4885KMT2A 2846/4885PIK3CA 3/4885
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA ADORA2A 2156/4885KMT2A 2846/4885PIK3CA 3/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA ADORA2A 2156/4885KMT2A 2846/4885PIK3CA 3/4885
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA ADORA2A 2156/4885KMT2A 2846/4885PIK3CA 3/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA ADORA2A 2156/4885KMT2A 2846/4885PIK3CA 3/4885
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 ADORA2A 3921/4885KMT2A 4279/4885PIK3CA 2/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA ADORA2A 2156/4885KMT2A 2846/4885PIK3CA 3/4885
US-20140248239-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA ADORA2A 2156/4885KMT2A 2846/4885PIK3CA 3/4885

“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.