SCHEMBL23730106

SCHEMBL23730106

CN1C(C)(C)C=C(B2OC(C)(C)C(C)(C)O2)CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ LPL P06858 2/20 0.30
▸ LIPG Q9Y5X9 2/20 0.30

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
SCHEMBL30965862 0.71 P2RX7 (0.47) P2RX7MAPK1LPLLIPG
SCHEMBL21585195 0.70 P2RX7 (0.40) P2RX7MAPK1
SCHEMBL25483074 0.70 USP30 (0.38) P2RX7MAPK1
SCHEMBL18095998 0.68 P2RX7 (0.48) P2RX7MAPK1LPLLIPG
SCHEMBL25136361 0.68 MAPK1 (0.46) P2RX7MAPK1LPLLIPG
SCHEMBL3655929 0.67 P2RX7 (0.47) P2RX7MAPK1LPLLIPG
SCHEMBL30708588 0.67 P2RX7 (0.43) P2RX7MAPK1LPLLIPG
SCHEMBL2753979 0.67 P2RX7 (0.43) P2RX7MAPK1LPLLIPG
SCHEMBL31570487 0.67 P2RX7 (0.47) P2RX7MAPK1LPLLIPG
SCHEMBL3652609 0.66 P2RX7 (0.42) P2RX7MAPK1LPLLIPG

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-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 P2RX7 17/4885MAPK1 389/4885LPL 2578/4885

“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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