Sugi Predict

Sugi Predict / Compounds / SCHEMBL6493827

SCHEMBL6493827

SCHEMBL6493827

CC1(c2cc(Cl)ccc2Br)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ANPEP P15144 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL6498398 0.81 MAPT (0.35) MAPK1ALDH1A1LMNAMAPTPOLB
SCHEMBL9263550 0.80 CYP3A4 (0.44) TSHRMAPK1ALDH1A1LMNAMAPT
SCHEMBL5635402 0.79 KMT2A (0.41) LMNAMAPTANPEP
SCHEMBL2662444 0.78 SLC6A4 (0.41) TSHRMAPK1ALDH1A1LMNAMAPT
SCHEMBL3203338 0.77 HTR2A (0.35) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL1655307 0.76 MAPK1 (0.38) MAPK1ALDH1A1MAPTPOLB
SCHEMBL3213790 0.76 ALDH1A1 (0.32) ALDH1A1MAPTHSD17B10
SCHEMBL17782028 0.75 TDP1 (0.46) TSHRMAPK1ALDH1A1LMNAMAPT
SCHEMBL11859145 0.71 LMNA (0.43) TSHRMAPK1ALDH1A1LMNAMAPT
SCHEMBL3984959 0.71 SMN1; SMN2 (0.38) TSHRMAPK1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12569489-B2 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase ASTRAZENECA AB (SE) 2026-03-10 — — US disclosed
US-20240335446-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2024-10-10 — — US disclosed
US-11975004-B2 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase ASTRAZENECA AB (SE) 2024-05-07 — — US disclosed
US-20210228585-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2021-07-29 — — US disclosed
US-11000525-B2 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase ASTRAZENECA AB (SE) 2021-05-11 — — US disclosed
EP-3227294-B1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2019-08-14 — — EP disclosed
CN-107001374-B Thio -1,2,3,5- tetrahydro -4H- pyrrolo- [3,2-D] pyrimidin-4-one of 1- [2- (amino methyl) benzyl] -2- as myeloperoxidase inhibitor 阿斯利康(瑞典)有限公司 2019-06-14 — — CN disclosed
US-20190076432-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2019-03-14 — — US disclosed
US-10016430-B2 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase ASTRAZENECA AB (SE) 2018-07-10 — — US disclosed
EP-3227294-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE Astrazeneca AB (SE) 2017-10-11 — — EP disclosed
US-20170173025-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2017-06-22 — — US disclosed
US-9616063-B2 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase ASTRAZENECA AB (SE) 2017-04-11 — — US disclosed
WO-2016087338-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2016-06-09 — — WO disclosed
US-20160152623-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2016-06-02 — — US disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 — — US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 — — US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 — — US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 — — 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 (11 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-20160152623-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE MPO, GPX1, TH TSHR 3226/4885MAPK1 1541/4885ALDH1A1 96/4885
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 TSHR 305/4885MAPK1 381/4885ALDH1A1 2258/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 TSHR 305/4885MAPK1 381/4885ALDH1A1 2258/4885
US-10016430-B2 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase MPO, GPX1, TH TSHR 3226/4885MAPK1 1541/4885ALDH1A1 96/4885
US-11000525-B2 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase MPO, GPX1, TH TSHR 3226/4885MAPK1 1541/4885ALDH1A1 96/4885
US-20240335446-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE MPO, GPX1, TH TSHR 3226/4885MAPK1 1541/4885ALDH1A1 96/4885
US-20190076432-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE MPO, GPX1, TH TSHR 3226/4885MAPK1 1541/4885ALDH1A1 96/4885
US-20210228585-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE MPO, GPX1, TH TSHR 3226/4885MAPK1 1541/4885ALDH1A1 96/4885
US-20170173025-A1 1-[2-(AMINOMETHYL)BENZYL]-2-THIOXO-1,2,3,5-TETRAHYDRO-4H-PYRROLO[3,2-d]PYRIMIDIN-4-ONES AS INHIBITORS OF MYELOPEROXIDASE MPO, GPX1, TH TSHR 3226/4885MAPK1 1541/4885ALDH1A1 96/4885
US-11975004-B2 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase MPO, GPX1, TH TSHR 3226/4885MAPK1 1541/4885ALDH1A1 96/4885
US-12569489-B2 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase MPO, EPX, LPO TSHR 361/4885MAPK1 2087/4885ALDH1A1 307/4885

“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.