SCHEMBL4697019

SCHEMBL4697019

C=C(B(O)O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MGLL Q99685 1/20 0.35
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL17972909 0.85
SCHEMBL29955111 0.74
SCHEMBL14594879 0.69
SCHEMBL3193277 0.69 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6
SCHEMBL10956943 0.69 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6
SCHEMBL3185717 0.69 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6
SCHEMBL28366146 0.69
SCHEMBL7129291 0.67
SCHEMBL5659312 0.67
Boric Acid SCHEMBL11503478 0.67 CES2 (0.52) CES2CES1HDAC8HDAC6ALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856734-B1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2025-09-24 EP disclosed
US-12065422-B2 Reagents and process for direct C—H functionalization STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-08-20 US disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-11608322-B2 Reagents and process for direct C—H functionalization STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-21 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-01-06 US disclosed
EP-3856734-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION Studiengesellschaft Kohle mbH (DE) 2021-08-04 EP disclosed
EP-3650446-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION Studiengesellschaft Kohle mbH (DE) 2020-05-13 EP disclosed
CN-108689989-B DPP-4 inhibitor, preparation thereof and application thereof in diabetes 张爱芳 2020-04-03 CN disclosed
CN-108675987-B Quinoline derivative and application thereof in diabetes 德州学院 2020-01-17 CN disclosed
US-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES CLAUS ECKHARD (DE) 2013-06-20 US disclosed
US-20120252760-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2012-10-04 US disclosed
US-8217042-B2 Pyridopyrazines and their use as modulators of kinases ZENTARIS GMBH (DE) 2012-07-10 US disclosed
EP-1957487-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES AEterna Zentaris GmbH (DE) 2008-08-20 EP disclosed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US disclosed
WO-2007054556-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ÆTERNA ZENTARIS GMBH (DE) 2007-05-18 WO disclosed
EP-1785423-A1 Pyridopyrazine derivatives and their use as kinase modulators Zentaris GmbH (DE) 2007-05-16 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 (7 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-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 CES2 4284/4885CES1 4044/4885MGLL 4477/4885
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH CES2 232/4885CES1 1815/4885MGLL 2733/4885
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH CES2 232/4885CES1 1815/4885MGLL 2733/4885
US-20120252760-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 CES2 4284/4885CES1 4044/4885MGLL 4477/4885
US-11608322-B2 Reagents and process for direct C—H functionalization CFH, DOHH, CTSH CES2 249/4885CES1 1828/4885MGLL 2912/4885
US-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 CES2 4284/4885CES1 4044/4885MGLL 4477/4885
US-12065422-B2 Reagents and process for direct C—H functionalization CFH, DOHH, CTSH CES2 249/4885CES1 1828/4885MGLL 2912/4885

“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.