Sugi Predict

Sugi Predict / Compounds / SCHEMBL23993129

SCHEMBL23993129

SCHEMBL23993129

COc1ncc(-c2cc(N(C)Cc3ccccc3)c3nccn3n2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.38
▸ FAAH O00519 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ ZAP70 P43403 1/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ TSHR P16473 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL23992853 0.83 SYK (0.40) SYKFAAHCES1ALDH1A1PTGES2
SCHEMBL23994741 0.82 SYK (0.41) SYKFAAHCES1ALDH1A1TSHR
SCHEMBL23992878 0.80 SYK (0.38) SYKFAAHCES1ALDH1A1PTGES2
SCHEMBL23992849 0.80 SYK (0.46) SYKJAK2JAK3ACP1
SCHEMBL23994838 0.77 SYK (0.36) SYKFAAHCES1ALDH1A1TSHR
SCHEMBL23994841 0.77 SYK (0.36) SYKFAAHCES1ALDH1A1TSHR
SCHEMBL23993947 0.77 PTGES2 (0.41) SYKFAAHCES1ALDH1A1PTGES2
SCHEMBL23994425 0.77 SYK (0.38) SYKPTGES2CYP1A2ACP1P2RX3
SCHEMBL30224213 0.77 SYK (0.38) SYKPTGES2CYP1A2ACP1P2RX3
SCHEMBL23993949 0.77 SYK (0.38) SYKFAAHCES1ALDH1A1PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 — — US disclosed
US-20240043427-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-02-08 — — US disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
CN-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 — — CN disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO 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 (3 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 SYK 2578/4885FAAH 4134/4885CES1 1029/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E SYK 2578/4885FAAH 4134/4885CES1 1029/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E SYK 2691/4885FAAH 3983/4885CES1 605/4885

“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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