SCHEMBL16466254

SCHEMBL16466254

CC(F)(F)c1cc(=O)[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.37
▸ HPGD P15428 2/20 0.35
▸ PARP1 P09874 9/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.31
▸ IP6K1 Q92551 1/20 0.31
▸ KDR P35968 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ TNNI3K Q59H18 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ PIM3 Q86V86 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
SCHEMBL6243859 0.90 PDE2A (0.40) PDE2AHPGDPARP1PDPK1ABL1
SCHEMBL16481616 0.85 PDE2A (0.35) PDE2AHPGDPARP1PDPK1ABL1
SCHEMBL603194 0.83 PARP1 (0.40) PDE2AHPGDPARP1ABL1RIN1
SCHEMBL9359479 0.83 HPGD (0.41) PDE2AHPGDPARP1PDPK1ABL1
SCHEMBL6244738 0.82 PDE2A (0.34) PDE2AHPGDPARP1PDPK1ABL1
SCHEMBL8143168 0.80 PARP1 (0.34) PDE2AHPGDPARP1ABL1RIN1
SCHEMBL29450839 0.77 PDE2A (0.35) PDE2AHPGDPARP1ABL1RIN1
SCHEMBL6246141 0.77 PDE2A (0.32) PDE2AABL1RIN1
SCHEMBL20712852 0.74 ABL1 (0.33) HPGDPARP1PDPK1ABL1RIN1
SCHEMBL20712774 0.72 PDE4A (0.35) HPGDABL1RIN1

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 26 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
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
CN-104822670-A 5-phenoxy-3h-pyrimidin-4-one derivatives and their use as HIV reverse transcriptase inhibitors MERCK SHARP & DOHME 2015-08-05 — — CN 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 PDE2A 398/4885HPGD 341/4885PARP1 245/4885

“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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