SCHEMBL23730456

SCHEMBL23730456

CCCCNc1nc(N)nc2cnn(Cc3ncc(C4CCN(C5CCCC5)CC4)cc3OC)c12

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.78
▸ KCNH2 Q12809 7/20 0.78
▸ CYP2D6 P10635 2/20 0.60
▸ CYP2C8 P10632 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ CYP3A4 P08684 3/20 0.58
▸ CYP2C9 P11712 1/20 0.58

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
SCHEMBL23730564 0.98 TLR7 (0.78) TLR7KCNH2CYP2D6CYP2C8CYP2C19
SCHEMBL23730362 0.94 TLR7 (0.73) TLR7KCNH2CYP2D6CYP2C8CYP2C19
SCHEMBL23730239 0.93 TLR7 (0.75) TLR7KCNH2CYP2D6CYP2C8CYP2C19
SCHEMBL23730363 0.93 TLR7 (0.81) TLR7KCNH2CYP2D6CYP2C8CYP2C19
SCHEMBL25169312 0.93 TLR7 (0.76) TLR7KCNH2CYP2D6CYP2C8CYP2C19
SCHEMBL23730237 0.91 TLR7 (0.82) TLR7KCNH2CYP2D6CYP2C8CYP2C19
SCHEMBL23730430 0.89 TLR7 (0.77) TLR7KCNH2CYP2D6CYP2C8CYP2C19
SCHEMBL23730240 0.89 TLR7 (0.79) TLR7KCNH2CYP2D6CYP2C8CYP2C19
SCHEMBL23730327 0.88 TLR7 (0.78) TLR7KCNH2CYP2D6CYP2C8CYP2C19
SCHEMBL23703473 0.88 TLR7 (1.00) TLR7KCNH2CYP2D6CYP2C8CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 — — US disclosed
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 — — US disclosed
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 — — US disclosed
WO-2021154669-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-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 TLR7 1/4885KCNH2 3696/4885CYP2D6 3977/4885

“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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