SCHEMBL6768707

SCHEMBL6768707

COc1ccc(-c2cc(C#N)c(N)nc2-c2ccco2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.50
ADORA1 P30542 4/20 0.50
EGFR P00533 2/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
BLM P54132 2/20 0.46
POLB P06746 2/20 0.46
ALOX12 P18054 2/20 0.46
RECQL P46063 2/20 0.46
MCL1 Q07820 2/20 0.46
THRB P10828 1/20 0.46
PTPN7 P35236 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA2B P29275 1/20 0.40

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
SCHEMBL6765624 0.86 ADORA1 (0.64) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL6771685 0.85 HPGD (0.52) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL6765817 0.83 ADORA2A (0.53) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL3835289 0.82 ADORA2A (0.45) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL6770170 0.82 ADORA2A (0.66) ADORA2AADORA1EGFRMAPTALDH1A1
SCHEMBL6775433 0.80 ADORA2A (0.56) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL6768530 0.78 ALDH1A1 (0.47) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL6769704 0.76 ADORA1 (0.49) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL6768976 0.76 ADORA2A (0.60) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL6774464 0.76 PIK3R1 (0.52) ADORA2AADORA1MAPTALDH1A1MEN1

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 1/4885EGFR 889/4885

“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.