SCHEMBL15633181

SCHEMBL15633181

COC(=O)c1cc(COC(C)(C)C)c(OC)nn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MRGPRX4 Q96LA9 2/20 0.32
▸ AR P10275 1/20 0.32
▸ CA12 O43570 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA7 P43166 3/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ CA14 Q9ULX7 3/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ ACHE P22303 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
SCHEMBL15633379 0.87 KDM4E (0.33) MAPK1CYP3A4HPGDKDM4EALDH1A1
SCHEMBL29405005 0.87 KDM4E (0.33) MAPK1CYP3A4HPGDKDM4EALDH1A1
SCHEMBL15633335 0.82 BACE1 (0.37) MAPK1GAAHPGDMRGPRX4AR
SCHEMBL17773644 0.82 MAPK1 (0.39) MAPK1GAAKDM4EALDH1A1
SCHEMBL29403899 0.80 MAPK1 (0.38) MAPK1GAAHPGDKDM4EALDH1A1
SCHEMBL15633126 0.80 MAPK1 (0.38) MAPK1GAAHPGDKDM4EALDH1A1
SCHEMBL15633385 0.77 — —
SCHEMBL15633319 0.76 PDE4A (0.30) —
SCHEMBL17151117 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15633769 0.74 MAPK1 (0.38) MAPK1GAAKDM4EALDH1A1AR

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 23 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-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
US-10189831-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-29 — — US disclosed
US-10189831-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-29 — — US disclosed
EP-3295942-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) 2018-03-21 — — EP disclosed
EP-3295942-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) 2018-03-21 — — 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-9718819-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-9718819-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-9469634-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 — — US disclosed
US-9469634-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 — — US disclosed
US-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — US disclosed
US-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — US 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
US-20140100231-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2014-04-10 — — US 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-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 MAPK1 2407/4885GAA 283/4885CYP3A4 1249/4885
US-20140100231-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 MAPK1 2407/4885GAA 283/4885CYP3A4 1249/4885
US-10189831-B2 Non-nucleoside reverse transcriptase inhibitors POLRMT, POLR2E, RTF1 MAPK1 2407/4885GAA 283/4885CYP3A4 1249/4885

“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.

Send feedback