SCHEMBL6769587

SCHEMBL6769587

N#Cc1cc(-c2cccc(OCc3ccccc3)c2)c(-c2ccco2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.46
CNR1 P21554 2/20 0.45
ADORA1 P30542 5/20 0.44
ADORA2A P29274 4/20 0.44
ADORA2B P29275 4/20 0.44
MAOB P27338 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BACE1 P56817 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
SCHEMBL6765741 0.91 PIM1 (0.48) CNR1ADORA1ADORA2AADORA2BMAOB
SCHEMBL6770608 0.87 ADORA1 (0.46) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6775541 0.84 ADORA1 (0.52) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6768976 0.84 ADORA2A (0.60) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6771685 0.83 HPGD (0.52) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6766048 0.82 ADORA2A (0.57) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6769704 0.81 ADORA1 (0.49) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6989458 0.81 ADORA1 (0.67) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6774916 0.80 ADORA1 (0.51) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6768405 0.80 BRD4 (0.46) ADORA1ADORA2AADORA2BMEN1ALDH1A1

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 IGF1R 1964/4885CNR1 25/4885ADORA1 1/4885

“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.