SCHEMBL6620528

SCHEMBL6620528

CCOC(=O)c1cnc(SC)nc1OCc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 2/20 0.51
MAOB P27338 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SYK P43405 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL15584081 0.87 ALDH1A1 (0.63) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL28700183 0.87 SMN1; SMN2 (0.50) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL16481555 0.87 POLB (0.41) ALDH1A1TDP1POLBMAPTLMNA
SCHEMBL17773661 0.86 POLB (0.44) ALDH1A1POLBMAPTMAOBKMT2A
SCHEMBL28712636 0.85 POLB (0.43) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL4140948 0.84 L3MBTL1 (0.52) ALDH1A1TDP1POLBMAPTLMNA
SCHEMBL14653196 0.83 ALDH1A1 (0.51) ALDH1A1TDP1POLBMAPTLMNA
SCHEMBL31148360 0.83 ALDH1A1 (0.60) ALDH1A1TDP1POLBMAPTLMNA
SCHEMBL13696640 0.83 ALDH1A1 (0.60) ALDH1A1TDP1POLBMAPTLMNA
SCHEMBL30022188 0.82 GAA (0.52) ALDH1A1TDP1POLBMAPTLMNA

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-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
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
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
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
EP-1123295-B1 BICYCLIC NITROGEN HETEROCYCLES HOFFMANN LA ROCHE (CH) 2004-09-29 EP disclosed
EP-1123295-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
US-6150373-A AMINO-SUBSTITUTED DIHYDROPYRIMIDO(4,5-D)PYRIMIDINONE DERIVATIVES; INHIBITORS OF THE T-CELL TYROSINE KINASE P56LCK; IMMUNOSUPPRESSANTS; ANTIINFLAMMATORY/-CARCINOGENIC AGENTS; BRONCHOPULMONARY, DERMATOLOGICAL AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
WO-2000024744-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 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 (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 ALDH1A1 1343/4885TDP1 284/4885POLB 22/4885
US-20140100231-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, RTF1 ALDH1A1 1343/4885TDP1 284/4885POLB 22/4885
US-10189831-B2 Non-nucleoside reverse transcriptase inhibitors POLRMT, POLR2E, RTF1 ALDH1A1 1343/4885TDP1 284/4885POLB 22/4885

“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.