SCHEMBL2777205

SCHEMBL2777205

c1ccc(COc2ncncn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MAOB P27338 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2779108 0.82 LTA4H (0.55) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL11009131 0.79 TSHR (0.52) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL14638504 0.77 TSHR (0.44) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL6313882 0.76 APP (0.53) LMNACYP1A2CYP2C19MAOBRAB9A
SCHEMBL24844977 0.75 APP (0.50) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL17010218 0.75 MAOB (0.55) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL17012038 0.75 CYP1A2 (0.46) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL1735498 0.75 MAOB (0.50) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL28776503 0.75 PIN1 (0.49) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL30046416 0.74 KDM4E (0.48) CYP1A2CYP2C19L3MBTL1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153654-B Method for producing isocyanuric acid derivative having 1 hydrocarbon group 日产化学株式会社 2022-11-11 CN disclosed
CN-107011168-B Synthesis intermediates of cytosines and synthesis intermediates of thionucleosides 富士胶片株式会社 2020-06-09 CN disclosed
CN-109153654-A The manufacturing method of isocyanuric acid derivative with 1 alkyl 日产化学株式会社 2019-01-04 CN disclosed
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US disclosed
US-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-06 US disclosed
WO-2014025993-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2014-02-13 WO disclosed
US-7825096-B2 O6-alkylguanine-DNA alkyltransferase inactivators and beta-glucuronidase cleavable prodrugs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 US disclosed
EP-2134715-A2 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2009-12-23 EP disclosed
WO-2008109735-A2 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-12 WO disclosed
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE 2007-09-13 US disclosed
US-6172070-B1 IN POLYOXYETHYLENE GLYCOL CARRIER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-01-09 US disclosed
US-6096724-A O(6)-ALKYLGUANINE-DNA ALKYLTRANSFERASE (ATASE) ENZYME INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-08-01 US disclosed
US-5958932-A ANTITUMOR AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-28 US disclosed
US-5929046-A Pyrimidine and purine derivatives and their use in treating tumour cells CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-07-27 US disclosed
US-5916894-A Substituted 06-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-06-29 US disclosed
EP-0874848-A1 PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-11-04 EP disclosed
US-5753668-A Substituted benzyloxypyrimidines and their inactivation of O6 -alkylguanine-DNA alkyltransferase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-05-19 US disclosed
WO-1997020843-A1 PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-06-12 WO disclosed
EP-0775142-A1 SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-05-28 EP disclosed
US-5525606-A CHEMOTHERAPEUTIC ANTITUMOR AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 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-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, GRIN2A TSHR 3062/4885LMNA 4815/4885CYP1A2 2331/4885
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS UNG, OGG1, MPG TSHR 2852/4885LMNA 1100/4885CYP1A2 479/4885

“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.