Sugi Predict

Sugi Predict / Compounds / SCHEMBL23993199

SCHEMBL23993199

SCHEMBL23993199

FC(F)(F)COc1ccc2ccc(Br)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.37
▸ NT5E P21589 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL30224786 1.00 THRB (0.43) THRBBACE1CYP2C19CYP1A2HTT
SCHEMBL17962772 0.89 THRB (0.46) THRBBACE1CYP2C19CYP1A2HTT
SCHEMBL16705084 0.81 CYP1A2 (0.46) CYP2C19CYP1A2HTTL3MBTL1HDAC1
SCHEMBL6370641 0.78 HPGDS (0.37) THRBCYP2C19L3MBTL1HDAC1HDAC8
SCHEMBL6468609 0.78 MTNR1A (0.37) CYP2C19CYP1A2L3MBTL1HDAC1HDAC8
SCHEMBL6607250 0.78 MEN1 (0.51) BACE1CYP1A2L3MBTL1HDAC1HDAC8
SCHEMBL2461154 0.74 L3MBTL1 (0.56) THRBCYP2C19CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL29560184 0.73 HRH4 (0.40) THRBBACE1L3MBTL1HRH4HDAC1
SCHEMBL3359088 0.73 HRH4 (0.40) THRBBACE1L3MBTL1HRH4HDAC1
SCHEMBL2332151 0.72 BACE1 (0.52) BACE1CYP2C19CYP1A2HTTL3MBTL1

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 7 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

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 THRB 2469/4885BACE1 2334/4885CYP2C19 3386/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E THRB 2469/4885BACE1 2334/4885CYP2C19 3386/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E THRB 2174/4885BACE1 2334/4885CYP2C19 2298/4885

“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.