SCHEMBL21660253

SCHEMBL21660253

CCCCNc1nc(N)nc2cnn(Cc3ncc(CNC4CCOCC4)cc3OC)c12

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.78
▸ KCNH2 Q12809 4/20 0.74
▸ CYP3A4 P08684 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68

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
SCHEMBL21660181 0.93 TLR7 (0.78) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL21660170 0.88 TLR7 (1.00) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL21660254 0.87 TLR7 (0.82) TLR7KCNH2
SCHEMBL30341157 0.86 TLR7 (0.89) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23718970 0.85 TLR7 (0.66) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL21644766 0.84 TLR7 (0.68) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL21660423 0.83 TLR7 (0.86) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23730239 0.81 TLR7 (0.75) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL21660194 0.81 TLR7 (1.00) TLR7KCNH2CYP3A4CYP2D6
SCHEMBL23718919 0.81 TLR7 (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 — — US disclosed
US-20200038403-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2020-02-06 — — 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 (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-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR TLR7, TLR1, TLR9 TLR7 1/4885KCNH2 3884/4885CYP3A4 4118/4885
US-20200038403-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR TLR7, TLR1, TLR9 TLR7 1/4885KCNH2 3884/4885CYP3A4 4118/4885

“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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