SCHEMBL6775209

SCHEMBL6775209

N#Cc1cc(-c2cccnc2)c(-c2ccco2)nc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
HSD17B10 Q99714 4/20 0.60
GLA P06280 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
ALOX15 P16050 2/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
BRCA1 P38398 1/20 0.60
RECQL P46063 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ADORA2A P29274 7/20 0.46
ADORA1 P30542 7/20 0.46
ADORA2B P29275 6/20 0.46
HPGD P15428 3/20 0.45
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3840501 0.87 PIK3R1 (0.49) KDM4EALDH1A1HSD17B10GLAMEN1
SCHEMBL6768976 0.87 ADORA2A (0.60) KDM4EALDH1A1HSD17B10GLAMEN1
SCHEMBL6766048 0.84 ADORA2A (0.57) KDM4EALDH1A1HSD17B10GLAMEN1
SCHEMBL6775433 0.84 ADORA2A (0.56) KDM4EALDH1A1HSD17B10GLAMEN1
SCHEMBL6765605 0.82 ADORA2A (0.46) KDM4EALDH1A1HSD17B10GLAMEN1
SCHEMBL6775541 0.82 ADORA1 (0.52) KDM4EALDH1A1HSD17B10GLAMEN1
SCHEMBL6774916 0.82 ADORA1 (0.51) KDM4EALDH1A1HSD17B10GLAMEN1
SCHEMBL3834584 0.82 ADORA2A (0.48) KDM4EALDH1A1HSD17B10GLAMEN1
SCHEMBL6765760 0.81 ADORA1 (0.64) KDM4EALDH1A1HSD17B10GLAMEN1
SCHEMBL6768602 0.81 ADORA1 (0.48) KDM4EALDH1A1HSD17B10GLAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 768/4885ALDH1A1 455/4885HSD17B10 2572/4885

“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.