SCHEMBL23993478

SCHEMBL23993478

COc1ncc(-c2cc(C3CC3)c3nc(-c4ccccn4)cn3n2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.36
▸ AKT2 P31751 2/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ MTOR P42345 2/20 0.34
▸ SQOR Q9Y6N5 2/20 0.34
▸ GPR39 O43194 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP1 O94782 1/20 0.34
▸ WDR48 Q8TAF3 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
SCHEMBL30181563 1.00 AKT1 (0.36) AKT1AKT2ACP1GABRA1GABRG2
SCHEMBL23994708 0.89 PPARD (0.38) ACP1PPARDMTORSQORNPC1
SCHEMBL23994707 0.89 PPARD (0.38) ACP1PPARDMTORSQORNPC1
SCHEMBL23994018 0.85 PPARD (0.37) ACP1GABRA1GABRG2GABRB3GABRA3
SCHEMBL30224235 0.85 PPARD (0.37) ACP1GABRA1GABRG2GABRB3GABRA3
SCHEMBL30181987 0.85 PPARD (0.37) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL23994831 0.85 PPARD (0.37) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL23994710 0.85 MTOR (0.38) ACP1PPARDMTORTP53PIK3CD
SCHEMBL23992885 0.84 MTOR (0.38) ACP1PPARDMTORTP53PIK3CD
SCHEMBL30224155 0.84 MTOR (0.38) ACP1PPARDMTORTP53PIK3CD

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E AKT1 1619/4885AKT2 1176/4885ACP1 819/4885

“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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