Sugi Predict

Sugi Predict / Compounds / SCHEMBL16822472

SCHEMBL16822472

SCHEMBL16822472

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1F)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.44
▸ TNF P01375 1/20 0.43
▸ MDM2 Q00987 2/20 0.43
▸ MDM4 O15151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ PPARG P37231 1/20 0.42
▸ CTSC P53634 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ YAP1 P46937 3/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL20112939 1.00 PTPN1 (0.44) PTPN1TNFMDM2MDM4TP53
SCHEMBL20767798 0.93 MDM4 (0.48) PTPN1TNFMDM2MDM4TP53
SCHEMBL16822567 0.93 MDM4 (0.48) PTPN1TNFMDM2MDM4TP53
SCHEMBL16822592 0.89 TNF (0.45) PTPN1TNFMDM2MDM4TP53
SCHEMBL22444667 0.84 MDM2 (0.53) PTPN1TNFMDM2MDM4TP53
SCHEMBL28078868 0.82 MDM4 (0.49) TNFMDM2MDM4TP53HDAC1
SCHEMBL16822595 0.82 MDM4 (0.49) TNFMDM2MDM4TP53HDAC1
SCHEMBL16064419 0.82 PTPN1 (0.58) PTPN1PPARGCTSCYAP1KMT2A
SCHEMBL29633816 0.81 MDM4 (0.45) PTPN1MDM2MDM4TP53
SCHEMBL20112950 0.81 MDM4 (0.40) PTPN1MDM2MDM4TP53CTSC

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315499-B1 Crystal of (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide EISAI R&D MAN CO LTD (JP) 2021-04-07 — — EP disclosed
US-10259817-B2 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-04-16 — — US disclosed
US-10221183-B2 — — 2019-03-05 — — US disclosed
US-20180141950-A1 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-24 — — US disclosed
EP-3088401-A1 (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2016-11-02 — — EP disclosed
US-9174998-B2 (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-11-03 — — US disclosed
US-9174998-B2 (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-11-03 — — US disclosed
WO-2015098853-A1 (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 2015-07-02 — — WO disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 — — US disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 — — 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 (4 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-10221183-B2 — NT5C, HTR2C, HTR3C PTPN1 2073/4885TNF 4272/4885MDM2 1884/4885
US-10259817-B2 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide NT5C, HTR2C, HTR1D PTPN1 1708/4885TNF 4379/4885MDM2 2184/4885
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound WNT1, WNT3A, WNT3 PTPN1 1869/4885TNF 4574/4885MDM2 3490/4885
US-20180141950-A1 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide NT5C, HTR2C, HTR1D PTPN1 1708/4885TNF 4379/4885MDM2 2184/4885

“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.