SCHEMBL1409264

SCHEMBL1409264

CC(C)(C)OC(=O)NCCNc1nc(Cl)nc(N2CC3CCC(C2)O3)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ADORA2A P29274 7/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 5/20 0.41
MAPK1 P28482 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
EPHX1 P07099 1/20 0.37
BCHE P06276 1/20 0.36
BRD4 O60885 2/20 0.36
ADORA2B P29275 2/20 0.36
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL17563733 0.80 STK17B (0.51) KMT2AADORA2AADORA3ADORA1STK17B
SCHEMBL1408617 0.79 GBA1 (0.42) KMT2AMAPK1
SCHEMBL14505393 0.79 KMT2A (0.47) KMT2AADORA2AADORA3ADORA1MAPK1
SCHEMBL1409412 0.78 ADORA2A (0.37) KMT2AADORA2AMAPK1MTOR
SCHEMBL17576106 0.76 STK17B (0.46) KMT2AADORA2AADORA3ADORA1STK17B
SCHEMBL17564597 0.75 LMNA (0.51) KMT2AADORA2AADORA3ADORA1STK17B
SCHEMBL31436059 0.72 STK17B (0.62) KMT2AADORA2AADORA1STK17BSTK17A
SCHEMBL17564533 0.72 STK17B (0.62) KMT2AADORA2AADORA1STK17BSTK17A
SCHEMBL17576125 0.72 STK17B (0.45) KMT2AADORA2AADORA3ADORA1STK17B
SCHEMBL17564591 0.71 STK17B (0.46) KMT2AADORA2AADORA3ADORA1STK17B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300483-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2011-03-30 EP claimed
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 claimed
WO-2009143317-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH (US) 2009-11-26 WO claimed
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-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
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 (7 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 KMT2A 4279/4885ADORA2A 3921/4885ADORA3 2495/4885
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA KMT2A 2846/4885ADORA2A 2156/4885ADORA3 1426/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA KMT2A 2846/4885ADORA2A 2156/4885ADORA3 1426/4885
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA KMT2A 2846/4885ADORA2A 2156/4885ADORA3 1426/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA KMT2A 2846/4885ADORA2A 2156/4885ADORA3 1426/4885
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 KMT2A 4279/4885ADORA2A 3921/4885ADORA3 2495/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA KMT2A 2846/4885ADORA2A 2156/4885ADORA3 1426/4885

“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.