SCHEMBL467111

SCHEMBL467111

[c]1c(-c2ccco2)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 9/20 0.41
HPGD P15428 7/20 0.41
HSD17B10 Q99714 5/20 0.41
POLB P06746 4/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 3/20 0.41
ALOX15 P16050 3/20 0.41
MEN1 O00255 2/20 0.41
CASP1 P29466 2/20 0.41
PTPN7 P35236 2/20 0.41
RECQL P46063 2/20 0.41
BLM P54132 2/20 0.41
CASP7 P55210 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 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
SCHEMBL4723991 0.84 TDP1 (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL239122 0.77 CYP2A6 (0.37) ALDH1A1HPGDHSD17B10TDP1THRB
SCHEMBL4722317 0.70 HPGDS (0.39) BRD4ADORA2AADORA1
SCHEMBL79020 0.70 ALDH1A1 (0.35) ALDH1A1HSD17B10TDP1KMT2AMEN1
SCHEMBL3562666 0.69
SCHEMBL6929494 0.69
SCHEMBL28957272 0.69 ADORA2A (0.34) KDM4EALDH1A1HSD17B10MAPTTDP1
SCHEMBL4723194 0.68 NPC1 (0.34) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL467485 0.68 ALDH1A1 (0.32) ALDH1A1HSD17B10TDP1TSHR
SCHEMBL467347 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-09-04 US claimed
CN-103534255-A Substituted pyrazolopyrimidines as glucocerebrosidase activators US HEALTH (US) 2014-01-22 CN claimed
EP-2649075-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-10-16 EP claimed
WO-2012078855-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-06-14 WO claimed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP claimed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO claimed
EP-3366688-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS US HEALTH (US) 2022-02-09 EP disclosed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
US-10925874-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-23 US disclosed
US-20180263988-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2018-09-20 US disclosed
EP-3366688-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2018-08-29 EP disclosed
EP-2723384-B1 TREATMENT OF PROTEINOPATHIES MASSACHUSETTS GEN HOSPITAL (US) 2018-08-29 EP disclosed
EP-1675847-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE Adolor Corporation (US) 2006-07-05 EP disclosed
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION 2005-07-21 US disclosed
WO-2005033073-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-04-14 WO disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
US-6579884-B1 Compounds ASTRAZENECA AB (SE) 2003-06-17 US disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (5 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-20180263988-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 KDM4E 2174/4885ALDH1A1 2433/4885HPGD 2444/4885
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP KDM4E 1133/4885ALDH1A1 961/4885HPGD 3168/4885
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 KDM4E 2174/4885ALDH1A1 2433/4885HPGD 2444/4885
US-10925874-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators GBA1, GAA, GBA3 KDM4E 2174/4885ALDH1A1 2433/4885HPGD 2444/4885
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 KDM4E 4218/4885ALDH1A1 259/4885HPGD 118/4885

“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.