SCHEMBL6768702

SCHEMBL6768702

CC(=O)c1ccccc1-c1cc(C#N)c(N)nc1-c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.41
ADORA1 P30542 10/20 0.41
ADORA2B P29275 9/20 0.41
ALDH1A1 P00352 8/20 0.41
HPGD P15428 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HSD17B10 Q99714 4/20 0.41
BLM P54132 2/20 0.41
CASP1 P29466 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
KDM4E B2RXH2 7/20 0.39
GLA P06280 3/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
POLB P06746 3/20 0.39
TSHR P16473 2/20 0.39
PIM1 P11309 1/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL6768530 0.83 ALDH1A1 (0.47) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL6770480 0.83 ADORA2A (0.46) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL6775433 0.81 ADORA2A (0.56) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL6765514 0.81 ADORA1 (0.45) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL6775016 0.81 PIK3R1 (0.50) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL6769161 0.81 ADORA2A (0.46) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL6769134 0.80 ADORA2A (0.41) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL6769470 0.80 ADORA2A (0.43) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL6765522 0.80 ADORA2A (0.44) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL6768976 0.79 ADORA2A (0.60) ADORA2AADORA1ADORA2BALDH1A1HPGD

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 ADORA2A 3/4885ADORA1 1/4885ADORA2B 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.