SCHEMBL16465704

SCHEMBL16465704

CC(F)(F)c1nc[nH]c(=O)c1Br

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.73
▸ PARP1 P09874 11/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ PDPK1 O15530 4/20 0.36
▸ CHEK1 O14757 2/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL16481617 0.86 HPGD (0.69) HPGDPARP1ALDH1A1PDPK1CHEK1
SCHEMBL4231028 0.85 HPGD (0.67) HPGDPARP1ALDH1A1PDPK1CHEK1
SCHEMBL9343920 0.81 HPGD (0.62) HPGDPARP1ALDH1A1PDPK1CHEK1
SCHEMBL22139827 0.79 HPGD (0.50) HPGDPARP1ALDH1A1PDPK1CHEK1
SCHEMBL6245235 0.72 HPGD (0.50) HPGDPARP1ALDH1A1PDPK1CHEK1
SCHEMBL22699805 0.72 HPGD (0.50) HPGDPARP1ALDH1A1PDPK1CHEK1
SCHEMBL6245031 0.70 HPGD (0.49) HPGDPARP1ALDH1A1PDPK1CHEK1
SCHEMBL17773604 0.70 — —
SCHEMBL9723032 0.69 HPGD (0.47) HPGDPARP1ALDH1A1PDPK1CHEK1
SCHEMBL9582021 0.69 HPGD (0.47) HPGDPARP1ALDH1A1PDPK1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3125894-B1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2020-09-09 — — EP disclosed
EP-3125894-B1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2020-09-09 — — EP disclosed
EP-3656384-A1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME CORP. (US) 2020-05-27 — — EP disclosed
EP-3656384-A1 COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV MERCK SHARP & DOHME CORP. (US) 2020-05-27 — — EP disclosed
EP-3295942-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) 2019-11-20 — — EP disclosed
EP-3295942-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) 2019-11-20 — — EP disclosed
EP-2903977-B1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2017-09-20 — — EP disclosed
EP-2903977-B1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2017-09-20 — — EP disclosed
US-20170173015-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 — — US disclosed
US-20170173015-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 — — US disclosed
US-20170173015-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 — — US disclosed
EP-3125894-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-08 — — EP disclosed
WO-2015153304-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-08 — — WO disclosed
WO-2015153304-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-08 — — WO disclosed
EP-2903977-A1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-12 — — EP disclosed
WO-2014058747-A1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-04-17 — — 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-20170173015-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS TYMP, RNGTT, REV1 HPGD 341/4885PARP1 245/4885ALDH1A1 329/4885

“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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