SCHEMBL4231028

SCHEMBL4231028

O=c1[nH]cnc(C(F)(F)F)c1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.67
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PARP1 P09874 7/20 0.41
▸ PIM1 P11309 3/20 0.37
▸ PIM3 Q86V86 3/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.36
▸ PDPK1 O15530 3/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL9343920 0.85 HPGD (0.62) HPGDALDH1A1KMT2AHSP90AA1HTT
SCHEMBL16465704 0.85 HPGD (0.73) HPGDALDH1A1KMT2AHSP90AA1HTT
SCHEMBL16481617 0.82 HPGD (0.69) HPGDALDH1A1KMT2AHSP90AA1HTT
SCHEMBL9723032 0.80 HPGD (0.47) HPGDALDH1A1PARP1PIM1PIM3
SCHEMBL22139858 0.78 HPGD (0.44) HPGDALDH1A1PARP1PIM1PIM3
SCHEMBL8507626 0.76 HPGD (0.43) HPGDALDH1A1PARP1PIM1PIM3
SCHEMBL9582021 0.76 HPGD (0.47) HPGDALDH1A1PARP1PIM1PIM3
SCHEMBL9340305 0.76 HPGD (0.43) HPGDALDH1A1PARP1PIM1PIM3
SCHEMBL31710542 0.74 HPGD (0.39) HPGDKMT2APARP1KDM5BRAB9A
SCHEMBL9723132 0.73 HPGD (0.41) HPGDALDH1A1PARP1PIM1PIM3

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026081-B Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东有限责任公司 2025-02-11 — — CN disclosed
EP-3972965-B1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-07-03 — — EP disclosed
EP-3972965-B1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-07-03 — — EP disclosed
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-08-04 — — US disclosed
EP-3972965-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS Merck Sharp & Dohme Corp. (US) 2022-03-30 — — EP disclosed
EP-3656384-B1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME (US) 2022-02-23 — — EP disclosed
EP-3656384-B1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME (US) 2022-02-23 — — EP disclosed
CN-114026081-A Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东公司 2022-02-08 — — CN disclosed
EP-3785714-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-03-03 — — EP disclosed
EP-3785714-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-03-03 — — EP disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 — — WO disclosed
EP-0338686-B1 Pyrimidinone derivatives ZENECA LTD (GB) 1994-06-22 — — EP disclosed
US-5149810-A Chemical intermediates for insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-09-22 — — US disclosed
EP-0481604-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-22 — — EP disclosed
US-5104878-A Insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-14 — — US disclosed
US-5077297-A Insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-31 — — US disclosed
US-4990512-A Insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-05 — — US disclosed
EP-0396250-A1 Pyrimidinone derivatives ZENECA LIMITED (GB) 1990-11-07 — — EP disclosed
EP-0357201-A2 Pyridyl pyrimidinone derivatives with an insecticidal activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-07 — — EP disclosed
EP-0338686-A2 Pyrimidinone derivatives ZENECA LIMITED (GB) 1989-10-25 — — EP 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-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS PRUNE1, G6PD, ACIN1 HPGD 458/4885ALDH1A1 1817/4885KMT2A 4612/4885

“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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