SCHEMBL23711660

SCHEMBL23711660

COC(=O)Nc1nc(O)c2c(cnn2Cc2ccc(CCl)cc2OC)n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 19/20 0.42
▸ KCNH2 Q12809 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL30117202 1.00 TLR7 (0.42) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23732029 0.93 PTGER1 (0.36) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL30111847 0.93 PTGER1 (0.36) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23711694 0.92 TLR7 (0.42) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23718900 0.92 TLR7 (0.44) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23703482 0.92 TLR7 (0.42) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23718430 0.91 TLR7 (0.34) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL21660258 0.86 TLR7 (0.43) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL29971188 0.86 TLR7 (0.43) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23732027 0.86 TLR7 (0.36) TLR7KCNH2CYP3A4CYP2D6

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 7 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-20230127326-A1 C3-SUBSTITUTED 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
CN-115151547-A 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2022-10-04 — — CN 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-2021154668-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 (3 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-20230127326-A1 C3-SUBSTITUTED 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR3, TLR9 TLR7 1/4885KCNH2 3785/4885CYP3A4 3565/4885
US-20230131192-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 TLR7 1/4885KCNH2 3706/4885CYP3A4 3851/4885
US-20230122249-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 TLR7 1/4885KCNH2 3706/4885CYP3A4 3851/4885

“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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