SCHEMBL23732027

SCHEMBL23732027

COC(=O)Nc1nc(O)c2c(cnn2Cc2cc(CO)ccc2OC)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.36
▸ APP P05067 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL23711694 0.93 TLR7 (0.42) TLR7CYP3A4CYP2D6KCNH2
SCHEMBL30111847 0.93 PTGER1 (0.36) TLR7APPACHECYP3A4CYP2D6
SCHEMBL23732029 0.93 PTGER1 (0.36) TLR7APPACHECYP3A4CYP2D6
SCHEMBL26412742 0.88 TSHR (0.36) TLR7CYP3A4CYP2D6KCNH2PTGER1
SCHEMBL23703617 0.87 MAPT (0.41) TLR7
SCHEMBL30111841 0.87 MAPT (0.41) TLR7
SCHEMBL23732046 0.86 TLR7 (0.39) TLR7CYP3A4CYP2D6KCNH2
SCHEMBL23703467 0.86 TLR7 (0.42) TLR7CYP3A4CYP2D6KCNH2
SCHEMBL23711660 0.86 TLR7 (0.42) TLR7CYP3A4CYP2D6KCNH2
SCHEMBL23718900 0.86 TLR7 (0.44) TLR7CYP3A4CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-20 — — US disclosed
WO-2021154661-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 (1 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-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 TLR7 1/4885APP 4202/4885ACHE 4729/4885

“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.

Send feedback