SCHEMBL3836372

SCHEMBL3836372

N#Cc1ccc(-c2ccco2)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
GLA P06280 5/20 0.50
RECQL P46063 4/20 0.50
BLM P54132 3/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 9/20 0.49
GAA P10253 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 7/20 0.48
POLB P06746 6/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
APEX1 P27695 1/20 0.48
MDM2 Q00987 1/20 0.44
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 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
SCHEMBL11834751 0.75 CTSV (0.44) KDM4EMEN1KMT2AGLARECQL
SCHEMBL3032558 0.74 KDM4E (0.80) KDM4EMEN1KMT2AGLARECQL
SCHEMBL4474609 0.73 MDM2 (0.62) KDM4EMEN1KMT2AGLARECQL
SCHEMBL9538000 0.72 NPC1 (0.44) KDM4EGLAPKMALDH1A1GAA
SCHEMBL11835107 0.71 KDM4E (0.58) KDM4EMEN1KMT2AGLARECQL
SCHEMBL11834747 0.71 CTSV (0.41) KDM4EMEN1KMT2AGLARECQL
SCHEMBL11840596 0.71 CRHBP (0.48) KDM4EMEN1KMT2AGLARECQL
SCHEMBL9701575 0.70 MDM2 (0.59) KDM4EMEN1KMT2AGLARECQL
SCHEMBL10810736 0.69 PDE3B (0.60) KDM4EMEN1KMT2AGLARECQL
SCHEMBL9538008 0.69 MDM2 (0.42) KDM4EGLAALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308441-B1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS EISAI R&D MAN CO LTD (JP) 2009-10-07 EP disclosed
EP-1308441-B1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS EISAI R&D MAN CO LTD (JP) 2009-10-07 EP disclosed
US-6750232-B2 ADENOSINE ANTAGONIST; AN IMPORTANT REGULATORY FACTOR INVOLVED IN VARIOUS INTRACELLULAR METABOLISMS SUCH AS REGULATION OF ENERGY LEVELS EISAI CO., LTD. (JP) 2004-06-15 US disclosed
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-01-08 US disclosed
EP-1308441-A1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS Eisai Co., Ltd. (JP) 2003-05-07 EP disclosed
US-3948903-A Substituted N-(1,2-dihydro-2-oxonicotinyl)-cephalexins and -cephaloglycins PARKE, DAVIS & COMPANY (US) 1976-04-06 US 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-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs ADORA1, ADORA2B, ADORA2A KDM4E 768/4885MEN1 3490/4885KMT2A 873/4885

“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.