SCHEMBL6765817

SCHEMBL6765817

COc1cc(-c2cc(C#N)c(N)nc2-c2ccco2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.53
ADORA1 P30542 7/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PDE4C Q08493 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
ADORA2B P29275 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6770170 0.90 ADORA2A (0.66) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL6765624 0.85 ADORA1 (0.64) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL6771685 0.84 HPGD (0.52) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL6768707 0.83 ADORA2A (0.50) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL6768976 0.82 ADORA2A (0.60) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL6775433 0.82 ADORA2A (0.56) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL3835289 0.82 ADORA2A (0.45) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL6775171 0.81 ADORA2A (0.48) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL3840501 0.80 PIK3R1 (0.49) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL3834584 0.80 ADORA2A (0.48) ADORA2AADORA1MEN1KMT2AMAPT

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 1/4885MEN1 3490/4885

“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.