SCHEMBL1409462

SCHEMBL1409462

Nc1ccc(NC(=O)CN2CCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
ALDH1A1 P00352 4/20 0.71
THRB P10828 1/20 0.71
HTT P42858 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MEN1 O00255 1/20 0.69
HPGD P15428 1/20 0.69
KMT2A Q03164 1/20 0.69
NPC1 O15118 3/20 0.68
TP53 P04637 1/20 0.68
RAB9A P51151 1/20 0.68
USP2 O75604 1/20 0.67
LMNA P02545 1/20 0.64
POLB P06746 2/20 0.62
RAD52 P43351 2/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
HRH3 Q9Y5N1 1/20 0.59

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
SCHEMBL22407743 0.98 KDM4E (0.69) KDM4EALDH1A1THRBHTTTDP1
SCHEMBL4777614 0.98 KDM4E (0.69) KDM4EALDH1A1THRBHTTTDP1
SCHEMBL15499796 0.87 NPC1 (0.56) KDM4EALDH1A1THRBHTTTDP1
SCHEMBL3216808 0.86 ATM (0.74) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL1409602 0.86 LMNA (0.65) KDM4EALDH1A1THRBMEN1KMT2A
SCHEMBL10210776 0.85 NPC1 (0.74) KDM4EALDH1A1THRBHTTTDP1
SCHEMBL10917054 0.85 KDM4E (0.73) KDM4EALDH1A1THRBHTTTDP1
SCHEMBL13846193 0.84 HRH3 (0.60) KDM4EALDH1A1THRBHTTTDP1
SCHEMBL23928147 0.84 KDM4E (0.64) KDM4EALDH1A1THRBHTTTDP1
SCHEMBL4750130 0.84 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ALMNAPOLB

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 29 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
EP-3056202-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-17 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
CN-104230831-A Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC 2014-12-24 CN 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
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 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 KDM4E 1567/4885ALDH1A1 4809/4885THRB 1146/4885
US-20170224696-A9 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA KDM4E 881/4885ALDH1A1 4096/4885THRB 1195/4885
US-20150011752-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA KDM4E 881/4885ALDH1A1 4096/4885THRB 1195/4885
US-20170119778-A1 TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, PIK3CA KDM4E 881/4885ALDH1A1 4096/4885THRB 1195/4885
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 KDM4E 1567/4885ALDH1A1 4809/4885THRB 1146/4885
US-10022381-B2 Triazine compounds as PI3 kinase and mTOR inhibitors MTOR, RICTOR, PIK3CA KDM4E 881/4885ALDH1A1 4096/4885THRB 1195/4885

“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.