SCHEMBL457106

SCHEMBL457106

Brc1cnc2ccoc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.38
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL31168473 0.75 CYP1A2 (0.44) DYRK1AKMT2AIRAK4ALDH1A1MAPT
SCHEMBL827713 0.75 CYP1A2 (0.44) DYRK1AKMT2AIRAK4ALDH1A1MAPT
SCHEMBL13459982 0.75 DYRK1A (0.40) DYRK1AKMT2AIRAK4ALDH1A1MAPT
SCHEMBL1269987 0.75 FTO (0.40) DYRK1AHTTIRAK4ALDH1A1MAPT
SCHEMBL31168602 0.75 TRPA1 (0.34) DYRK1AIRAK4PDE4BPDE4DPDE4A
SCHEMBL15651507 0.71 CYP2A6 (0.46) DYRK1APDE4BPDE4DPDE4A
SCHEMBL12814747 0.71 KDM4E (0.45) HTTKMT2AALDH1A1MAPTNPSR1
SCHEMBL3802865 0.71 RECQL (0.36) DYRK1APDE4BPDE4D
SCHEMBL8122154 0.71 CYP2A6 (0.46) HTTIRAK4ALDH1A1
SCHEMBL12458419 0.71 IRAK4 (0.32) DYRK1AIRAK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024217519-A1 PYRROLE SULFONYL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 天地恒一制药股份有限公司 2024-10-24 WO disclosed
US-20230192617-A1 AZABICYCLIC(THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2023-06-22 US disclosed
EP-4153566-A1 AZABICYCLIC(THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer CropScience Aktiengesellschaft (DE) 2023-03-29 EP disclosed
CN-115803317-A Azabicyclo (thio) amides as fungicidal compounds 拜耳作物科学股份公司 2023-03-14 CN disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
WO-2021233861-A1 AZABICYCLIC(THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2021-11-25 WO disclosed
US-20210115040-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-04-22 US disclosed
CN-112312908-A OGA inhibitor compounds 詹森药业有限公司 2021-02-02 CN disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
US-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 US disclosed
US-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 US disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 US disclosed
US-6833370-B1 Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine ABBOTT LABORATORIES 2004-12-21 US disclosed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 EP disclosed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO disclosed
EP-0973777-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-01-26 EP disclosed
WO-1998046609-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1998-10-22 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 (3 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-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN DYRK1A 3207/4885HTT 33/4885KMT2A 1825/4885
US-20230192617-A1 AZABICYCLIC(THIO)AMIDES AS FUNGICIDAL COMPOUNDS TPMT, TST, NANP DYRK1A 3940/4885HTT 1734/4885KMT2A 886/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B DYRK1A 3093/4885HTT 2273/4885KMT2A 2656/4885

“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.