SCHEMBL17782017

SCHEMBL17782017

O=Cc1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MPO P05164 20/20 0.71
TPO P07202 20/20 0.71
CYP3A4 P08684 2/20 0.71
KCNH2 Q12809 2/20 0.67

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
SCHEMBL30601274 1.00 MPO (0.71) MPOTPOCYP3A4KCNH2
SCHEMBL30601249 0.87 MPO (0.66) MPOTPOCYP3A4KCNH2
SCHEMBL30601280 0.87 MPO (0.66) MPOTPOCYP3A4KCNH2
SCHEMBL30601250 0.87 MPO (0.56) MPOTPOCYP3A4KCNH2
SCHEMBL30601242 0.84 MPO (0.78) MPOTPOCYP3A4KCNH2
SCHEMBL17782040 0.84 MPO (0.73) MPOTPOCYP3A4KCNH2
SCHEMBL30601244 0.84 MPO (0.54) MPOTPOCYP3A4KCNH2
SCHEMBL17782061 0.84 MPO (0.66) MPOTPOCYP3A4KCNH2
SCHEMBL17782032 0.83 MPO (1.00) MPOTPOCYP3A4KCNH2
SCHEMBL17802433 0.81 MPO (0.84) MPOTPOCYP3A4KCNH2

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 13 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
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

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

For each of this compound's patents that has machine-readable text (9 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 21/4885CYP3A4 825/4885
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 MPO 1/4885TPO 21/4885CYP3A4 825/4885
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 MPO 1/4885TPO 21/4885CYP3A4 825/4885
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 21/4885CYP3A4 825/4885
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 MPO 1/4885TPO 21/4885CYP3A4 825/4885
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 21/4885CYP3A4 825/4885
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 21/4885CYP3A4 825/4885
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 21/4885CYP3A4 825/4885
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 4/4885CYP3A4 2717/4885

“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.