SCHEMBL4319942

SCHEMBL4319942

NC(=O)Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.73
▸ L3MBTL3 Q96JM7 12/20 0.70
▸ L3MBTL1 Q9Y468 9/20 0.70
▸ PIK3CA P42336 2/20 0.58
▸ MTOR P42345 2/20 0.58
▸ PIK3CG P48736 2/20 0.58
▸ MBTD1 Q05BQ5 6/20 0.56
▸ TP53BP1 Q12888 2/20 0.56
▸ L3MBTL4 Q8NA19 2/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL1430650 0.88 L3MBTL3 (0.73) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL30410369 0.87 EPHX2 (0.68) EPHX2KDM4EALDH1A1
SCHEMBL1431503 0.85 NAMPT (0.58) EPHX2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL3945175 0.84 EPHX2 (1.00) EPHX2L3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL12237815 0.80 L3MBTL3 (0.79) EPHX2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL94754 0.80 L3MBTL3 (0.79) EPHX2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL10293564 0.80 L3MBTL3 (0.78) EPHX2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL32568 0.78 PIK3CA (0.93) EPHX2PIK3CAMTORPIK3CG
SCHEMBL17886717 0.77 L3MBTL3 (0.73) EPHX2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL21360592 0.77 L3MBTL3 (0.68) EPHX2L3MBTL3L3MBTL1MBTD1TP53BP1

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-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors PFIZER INC. (US) 2018-07-17 — — US 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
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-20140248239-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2014-09-04 — — US disclosed
US-8748421-B2 Triazine compounds as P13 kinase and MTOR inhibitors WYETH LLC (US) 2014-06-10 — — US disclosed
US-20130315865-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS PFIZER INC. (US) 2013-11-28 — — US disclosed
US-8575159-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2013-11-05 — — US disclosed
US-8445486-B2 Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC (US) 2013-05-21 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 EPHX2 4453/4885L3MBTL3 1605/4885L3MBTL1 2650/4885
US-20130109670-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA EPHX2 4461/4885L3MBTL3 1963/4885L3MBTL1 2650/4885
US-20130005723-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA EPHX2 4461/4885L3MBTL3 1963/4885L3MBTL1 2650/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA EPHX2 4461/4885L3MBTL3 1963/4885L3MBTL1 2650/4885
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA EPHX2 4461/4885L3MBTL3 1963/4885L3MBTL1 2650/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA EPHX2 4461/4885L3MBTL3 1963/4885L3MBTL1 2650/4885
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 EPHX2 4453/4885L3MBTL3 1605/4885L3MBTL1 2650/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA EPHX2 4461/4885L3MBTL3 1963/4885L3MBTL1 2650/4885
US-20140248239-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA EPHX2 4461/4885L3MBTL3 1963/4885L3MBTL1 2650/4885
US-20130315865-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA EPHX2 4461/4885L3MBTL3 1963/4885L3MBTL1 2650/4885

“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.

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