SCHEMBL23995192

SCHEMBL23995192

FC(F)(F)Cn1ncc2ccc(Br)nc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PDE2A O00408 1/20 0.32
▸ KMO O15229 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ PTGS2 P35354 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CNR1 P21554 1/20 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
SCHEMBL30224680 1.00 CYP17A1 (0.38) CYP17A1CYP1A2PDE2AKMOSRC
SCHEMBL25267371 0.78 CYP17A1 (0.35) CYP17A1CYP1A2PLK4
SCHEMBL30182171 0.75 KDM4E (0.46) CYP17A1CYP1A2
SCHEMBL23994190 0.73 KMO (0.55) CYP17A1CYP1A2KMO
SCHEMBL20529662 0.73 TDO2 (0.37) —
SCHEMBL23994199 0.73 HTR2A (0.40) CYP17A1CYP1A2PDE2AKMOMAPK1
SCHEMBL23994571 0.73 KCNJ6 (0.39) CYP17A1CYP1A2PDE2A
SCHEMBL30224531 0.72 MTNR1A (0.31) —
SCHEMBL23993485 0.72 MTNR1A (0.31) —
SCHEMBL25164210 0.71 CYP17A1 (0.38) CYP17A1CYP1A2MAPK1

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
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
CN-113387962-A Pyrazolo [3,4-d ] pyrimidine-3-one derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2021-09-14 — — CN 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 CYP17A1 4392/4885CYP1A2 3166/4885PDE2A 276/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E CYP17A1 4392/4885CYP1A2 3166/4885PDE2A 276/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E CYP17A1 3414/4885CYP1A2 2027/4885PDE2A 264/4885

“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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