SCHEMBL3519352

SCHEMBL3519352

O=C(O)c1cc(-c2ccncc2)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
HCAR2 Q8TDS4 8/20 0.47
DAO P14920 1/20 0.47
LDHA P00338 1/20 0.45
CYTH3 O43739 1/20 0.43
BTK Q06187 1/20 0.43
EPN1 Q9Y6I3 1/20 0.43
HCAR3 P49019 1/20 0.43
MAPK14 Q16539 1/20 0.43
CDC7 O00311 2/20 0.42
PDPK1 O15530 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
SCHEMBL69492 0.85 MEN1 (0.58) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL20656278 0.84 CDC7 (0.43) MEN1KMT2APOLBCDC7PDPK1
Hydrochloric Acid SCHEMBL1221862 0.84 MEN1 (0.57) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL70360 0.84 CA12 (0.53) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL29019950 0.82 MEN1 (0.51) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL19996893 0.81 MEN1 (0.50) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413926 0.81 MEN1 (0.54) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413865 0.81 ALPL (0.53) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413993 0.81 HCAR2 (0.55) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL70800 0.81 RAB9A (0.55) MEN1KMT2APOLBMAPTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685807-B Cadmium coordination polymer based on pyrazole carboxylic acid ligand and preparation method thereof 东南大学 2023-03-14 CN claimed
CN-114685807-A Cadmium coordination polymer based on pyrazole carboxylic acid ligand and preparation method thereof 东南大学 2022-07-01 CN claimed
CN-114685807-B Cadmium coordination polymer based on pyrazole carboxylic acid ligand and preparation method thereof 东南大学 2023-03-14 CN disclosed
CN-114685807-B Cadmium coordination polymer based on pyrazole carboxylic acid ligand and preparation method thereof 东南大学 2023-03-14 CN disclosed
CN-114685807-A Cadmium coordination polymer based on pyrazole carboxylic acid ligand and preparation method thereof 东南大学 2022-07-01 CN disclosed
CN-114685807-A Cadmium coordination polymer based on pyrazole carboxylic acid ligand and preparation method thereof 东南大学 2022-07-01 CN disclosed
CN-101910170-A (1,4-diazabicyclo [3.2.2] ninth of the ten Heavenly Stems-6-alkene-4-yl)-heterocyclic radical-ketone part that is used for the treatment of the nicotinic acetylcholine receptor of disease MEMORY PHARM CORP 2010-12-08 CN disclosed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
EP-2212321-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE Memory Pharmaceuticals Corporation (US) 2010-08-04 EP disclosed
WO-2009055437-A9 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARM CORP (US) 2009-07-23 WO disclosed
WO-2009055437-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-04-30 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 (1 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-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease CHRNA7, CHRNA6, CHRNA5 MEN1 2161/4885KMT2A 3050/4885POLB 3742/4885

“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.