SCHEMBL791333

SCHEMBL791333

CNC(=O)c1ccccc1B(O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
PLK1 P53350 2/20 0.53
PDK2 Q15119 1/20 0.43
BRD4 O60885 3/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KAT2B Q92831 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
POLB P06746 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPK10 P53779 1/20 0.40

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
SCHEMBL29469069 1.00 GAA (0.57) GAAPLK1PDK2BRD4KDM4E
SCHEMBL28681748 0.82 PLK1 (0.49) GAAPLK1PDK2BRD4POLB
SCHEMBL2344909 0.82 GAA (0.71) GAAPLK1BRD4KAT2BBAZ2B
SCHEMBL31255734 0.82 GAA (0.37) GAAPLK1KDM4EPOLB
SCHEMBL31255732 0.82 GAA (0.37) GAAPLK1KDM4EPOLB
SCHEMBL11410287 0.80 GAA (0.63) GAAPLK1PDK2BRD4KDM4E
SCHEMBL4763194 0.79 PTGS2 (0.43) KDM4EPOLB
SCHEMBL3784749 0.79 HPGD (0.62) KDM4EPOLB
SCHEMBL4765741 0.78 KMT2A (0.65) GAAKDM4EL3MBTL1
SCHEMBL4744541 0.77 TSHR (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-05 US disclosed
EP-4251625-A1 TRICYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2023-10-04 EP disclosed
EP-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 EP disclosed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
US-20210096081-A1 POLYMER DYE FOR DETECTING HYDROGEN PEROXIDE AND STRUCTURE FOR DETECTING HYDROGEN PEROXIDE CANON KABUSHIKI KAISHA (JP) 2021-04-01 US disclosed
CN-111808081-A 2, 8-disubstituted quinazoline derivatives, preparation method thereof and application thereof in antitumor drugs 陈爱平 2020-10-23 CN disclosed
EP-3440080-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Lysosomal Therapeutics Inc. (US) 2019-02-13 EP disclosed
EP-3423451-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2019-01-09 EP disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017176960-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-10-12 WO disclosed
WO-2010010188-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 WO disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
WO-2009036117-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed
WO-2009032668-A2 2 -BIPHENYLAMINO-4 -AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-03-12 WO disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
EP-1989211-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2008-11-12 EP disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 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 (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-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA GAA 1153/4885PLK1 55/4885PDK2 217/4885
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF VHL, MDM2, NEDD4 GAA 1563/4885PLK1 1016/4885PDK2 2176/4885

“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.