SCHEMBL6771685

SCHEMBL6771685

COc1cccc(-c2cc(C#N)c(N)nc2-c2ccco2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 1/20 0.52
ADORA1 P30542 8/20 0.52
ADORA2A P29274 7/20 0.52
ADORA2B P29275 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
BLM P54132 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45

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 0.90 ADORA1 (0.64) HPGDHTTTP53ADORA1ADORA2A
SCHEMBL6770608 0.88 ADORA1 (0.46) HPGDHTTTP53ADORA1ADORA2A
SCHEMBL6765760 0.86 ADORA1 (0.64) HPGDADORA1ADORA2AADORA2BKDM4E
SCHEMBL6989458 0.86 ADORA1 (0.67) HPGDADORA1ADORA2AADORA2BKDM4E
SCHEMBL6770170 0.86 ADORA2A (0.66) HPGDHTTTP53ADORA1ADORA2A
SCHEMBL6774916 0.85 ADORA1 (0.51) HPGDADORA1ADORA2AADORA2BKDM4E
SCHEMBL6775541 0.85 ADORA1 (0.52) HPGDADORA1ADORA2AADORA2BKDM4E
SCHEMBL6768707 0.85 ADORA2A (0.50) HPGDHTTTP53ADORA1ADORA2A
SCHEMBL6768976 0.85 ADORA2A (0.60) HPGDADORA1ADORA2AADORA2BKDM4E
SCHEMBL6765817 0.84 ADORA2A (0.53) HPGDADORA1ADORA2AADORA2BKDM4E

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 HPGD 1908/4885HTT 2236/4885TP53 3991/4885

“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.