SCHEMBL17782018

SCHEMBL17782018

O=c1[nH]c(=S)n(Cc2ccccc2CNCC2CCC2)c2cc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MPO P05164 20/20 1.00
TPO P07202 16/20 1.00
KCNH2 Q12809 1/20 0.52
CYP3A4 P08684 1/20 0.50

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
SCHEMBL30618050 1.00 MPO (1.00) MPOTPOKCNH2CYP3A4
SCHEMBL17782030 0.85 MPO (1.00) MPOTPOKCNH2CYP3A4
SCHEMBL17782014 0.83 MPO (1.00) MPOTPOKCNH2CYP3A4
SCHEMBL17782016 0.80 MPO (1.00) MPOTPOKCNH2CYP3A4
SCHEMBL17782051 0.80 MPO (1.00) MPOTPOKCNH2CYP3A4
SCHEMBL17782061 0.78 MPO (0.66) MPOTPOKCNH2CYP3A4
SCHEMBL17782081 0.78 MPO (0.73) MPOTPOKCNH2CYP3A4
SCHEMBL1536690 0.76 MPO (0.69) MPOTPOKCNH2CYP3A4
SCHEMBL30749183 0.75 MPO (0.70) MPOTPOKCNH2CYP3A4
SCHEMBL27223960 0.75 MPO (0.70) MPOTPOKCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
EP-3654983-B1 MPO INHIBITORS FOR USE IN MEDICINE ASTRAZENECA AB (SE) 2023-08-30 EP disclosed
US-11738027-B2 MPO inhibitors for use in medicine ASTRAZENECA AB (SE) 2023-08-29 US disclosed
CN-110891572-B MPO inhibitors for medical use 阿斯利康(瑞典)有限公司 2023-08-15 CN disclosed
US-20220160715-A1 MPO INHIBITORS FOR USE IN MEDICINE ASTRAZENECA AB (SE) 2022-05-26 US 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
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
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-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

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

For each of this compound's patents that has machine-readable text (8 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 MPO 1/4885TPO 21/4885KCNH2 2271/4885
US-11738027-B2 MPO inhibitors for use in medicine MPO, SERPINB1, MMP8 MPO 1/4885TPO 23/4885KCNH2 4623/4885
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 MPO 1/4885TPO 21/4885KCNH2 2271/4885
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 MPO 1/4885TPO 21/4885KCNH2 2271/4885
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 MPO 1/4885TPO 21/4885KCNH2 2271/4885
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 MPO 1/4885TPO 21/4885KCNH2 2271/4885
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 MPO 1/4885TPO 4/4885KCNH2 3582/4885
US-20220160715-A1 MPO INHIBITORS FOR USE IN MEDICINE MPO, SERPINB1, MMP8 MPO 1/4885TPO 23/4885KCNH2 4623/4885

“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.