SCHEMBL6770608

SCHEMBL6770608

CCOc1cccc(-c2cc(C#N)c(N)nc2-c2ccco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.46
ADORA2A P29274 7/20 0.45
ADORA2B P29275 5/20 0.45
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
HSD17B10 Q99714 4/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 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
SCHEMBL6771685 0.88 HPGD (0.52) ADORA1ADORA2AADORA2BALDH1A1HPGD
SCHEMBL6769587 0.87 IGF1R (0.46) ADORA1ADORA2AADORA2BALDH1A1HPGD
SCHEMBL6765760 0.84 ADORA1 (0.64) ADORA1ADORA2AADORA2BALDH1A1HPGD
SCHEMBL6989458 0.83 ADORA1 (0.67) ADORA1ADORA2AADORA2BALDH1A1HPGD
SCHEMBL6774916 0.82 ADORA1 (0.51) ADORA1ADORA2AADORA2BALDH1A1HPGD
SCHEMBL6775541 0.82 ADORA1 (0.52) ADORA1ADORA2AADORA2BALDH1A1HPGD
SCHEMBL6768976 0.82 ADORA2A (0.60) ADORA1ADORA2AADORA2BALDH1A1HPGD
SCHEMBL6770039 0.81 PIK3R1 (0.52) ADORA1ADORA2AADORA2BALDH1A1HPGD
SCHEMBL6768602 0.81 ADORA1 (0.48) ADORA1ADORA2AADORA2BALDH1A1HPGD
SCHEMBL6765624 0.81 ADORA1 (0.64) ADORA1ADORA2AADORA2BALDH1A1HPGD

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 ADORA1 1/4885ADORA2A 3/4885ADORA2B 2/4885

“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.