SCHEMBL1447321

SCHEMBL1447321

CC(C)(C)OC(=O)NCCC[O]

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 1/20 0.62
GAA P10253 1/20 0.62
KMT2A Q03164 1/20 0.62
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
CA1 P00915 10/20 0.54
CA2 P00918 10/20 0.54
CA12 O43570 7/20 0.54
CA9 Q16790 7/20 0.54
EPHX1 P07099 1/20 0.46
HTT P42858 1/20 0.45
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL1774308 0.94 TDP1 (0.70) TDP1MEN1GAAKMT2AMAOA
SCHEMBL18205619 0.92 TDP1 (0.73) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1776892 0.92 TDP1 (0.73) TDP1MEN1GAAKMT2AMAOA
SCHEMBL2202959 0.92 TDP1 (0.73) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.89 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.89 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA
SCHEMBL606524 0.87 TDP1 (0.60) TDP1MEN1GAAKMT2AMAOA
SCHEMBL134329 0.87 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL136815 0.87 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3025184 0.87 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292120-B1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS HOFFMANN LA ROCHE (CH) 2019-06-19 EP claimed
EP-3292120-A1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS H. Hoffnabb-La Roche Ag (CH) 2018-03-14 EP claimed
US-9845322-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-12-19 US claimed
WO-2016177655-A1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO claimed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US claimed
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP claimed
EP-2298305-A1 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 EP claimed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US claimed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US claimed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US claimed
EP-1492536-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-05 EP claimed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
WO-2003082290-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-09 WO claimed
EP-4219767-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION F. Hoffmann-La Roche AG (CH) 2023-08-02 EP disclosed
US-20220096527-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-03-31 US disclosed
US-11191775-B2 PAPD5 and PAPD7 inhibitors for treating a hepatitis B infection HOFFMANN-LA ROCHE INC. (US) 2021-12-07 US disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP 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 (6 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS TDP1 1872/4885MEN1 568/4885GAA 2471/4885
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection TPMT, DPYD, HAVCR2 TDP1 1515/4885MEN1 3716/4885GAA 3708/4885
US-11191775-B2 PAPD5 and PAPD7 inhibitors for treating a hepatitis B infection HAVCR2, BRD7, ZC3HAV1 TDP1 3542/4885MEN1 4333/4885GAA 3849/4885
US-20220096527-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION HAVCR2, BRD7, BAZ2B TDP1 3351/4885MEN1 4191/4885GAA 3859/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD TDP1 4559/4885MEN1 916/4885GAA 300/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 TDP1 2026/4885MEN1 1913/4885GAA 3339/4885

“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.