SCHEMBL15633367

SCHEMBL15633367

C=C(OCC)c1ccc(OC)nn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.49
KDM4E B2RXH2 4/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
OXTR P30559 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL15002801 0.81 CYP1A2 (0.35) MAPTCYP1A2ALDH1A1CA1CA2
SCHEMBL1457285 0.81 CYP1A2 (0.35) KDM4EHSD17B10MAPTCYP1A2ALDH1A1
SCHEMBL14967247 0.79 CYP1A2 (0.42) KDM4EHPGDMAPTCYP1A2RAB9A
SCHEMBL12158914 0.79 DGAT1 (0.40) KDM4EHPGDHSD17B10CYP1A2ALDH1A1
SCHEMBL13052055 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL18281305 0.75 MAPK1 (0.36) KDM4EHPGDHSD17B10MAPTCYP1A2
SCHEMBL17819677 0.72 KDM4E (0.32) KDM4EHPGDCYP1A2ALDH1A1
SCHEMBL11526195 0.72 NNMT (0.50) NNMTKDM4ECYP1A2ALDH1A1POLB
SCHEMBL506635 0.71 CTDSP1 (0.50) KDM4EHPGDHSD17B10MAPTCYP1A2
SCHEMBL19788131 0.71 POLB (0.54) NNMTHPGDHSD17B10MAPTALDH1A1

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 40 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
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
US-20160145255-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-05-26 US 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
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 (2 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 NNMT 79/4885KDM4E 1082/4885HPGD 2043/4885
US-20140100231-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 NNMT 79/4885KDM4E 1082/4885HPGD 2043/4885

“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.