SCHEMBL23711677

SCHEMBL23711677

COc1cc(CN2CCS(=O)(=O)CC2)ccc1Cn1ncc2nc(N)nc(NCc3noc(C)n3)c21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.59
▸ KCNH2 Q12809 3/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C8 P10632 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL23718947 0.92 TLR7 (0.61) TLR7KCNH2CYP2D6CYP3A4
SCHEMBL23712200 0.89 TLR7 (0.47) TLR7KCNH2CYP2D6CYP3A4
SCHEMBL23711704 0.89 TLR7 (0.58) TLR7KCNH2CYP2D6CYP3A4
SCHEMBL23718954 0.89 TLR7 (0.58) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23712021 0.89 TLR7 (0.59) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23718948 0.89 TLR7 (0.59) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23718953 0.88 TLR7 (0.56) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23718910 0.87 TLR7 (0.57) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23704513 0.86 TLR7 (0.55) TLR7KCNH2CYP2D6CYP3A4CYP2C8
SCHEMBL23704509 0.86 TLR7 (0.54) TLR7KCNH2CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131192-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 — — US disclosed
US-20230131192-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 — — US disclosed
US-20230122249-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-20 — — US disclosed
WO-2021154663-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 — — WO disclosed
WO-2021154664-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 — — 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 (2 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-20230131192-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 TLR7 1/4885KCNH2 3706/4885CYP2D6 3938/4885
US-20230122249-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 TLR7 1/4885KCNH2 3706/4885CYP2D6 3938/4885

“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.

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