SCHEMBL6426524

SCHEMBL6426524

CCCCn1c(-c2cnn(Cc3ccccc3)c2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.58
ADORA2B P29275 3/20 0.58
ADORA1 P30542 3/20 0.58
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 2/20 0.58
ADORA3 P0DMS8 1/20 0.58
NOD2 Q9HC29 2/20 0.57
TNF P01375 1/20 0.57
USP2 O75604 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CXCL8 P10145 2/20 0.55
NOD1 Q9Y239 2/20 0.55
EPHB4 P54760 1/20 0.55
HTT P42858 1/20 0.55
MAPK1 P28482 1/20 0.54
BRAF P15056 1/20 0.54

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
SCHEMBL2327640 0.89 ADORA2B (0.62) ADORA2AADORA2BADORA1ALDH1A1KDM4E
SCHEMBL1946749 0.80 ADORA2B (0.49) ADORA2AADORA2BADORA1ALDH1A1KDM4E
SCHEMBL1943819 0.79 ADORA2B (0.79) ADORA2AADORA2BADORA1ADORA3
SCHEMBL1947335 0.76 ADORA2B (0.75) ADORA2AADORA2BADORA1ADORA3
SCHEMBL1944674 0.75 ADORA2B (0.74) ADORA2AADORA2BADORA1ADORA3
SCHEMBL1697135 0.74 ADORA2B (0.64) ADORA2AADORA2BADORA1ADORA3
SCHEMBL1946406 0.74 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6348692 0.73 BRAF (0.72) ALDH1A1KDM4ENOD2TNFRAB9A
SCHEMBL1948494 0.73 ADORA2B (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL1945347 0.73 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261316-A1 A2B Adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-24 US 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-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 1/4885ADORA1 3/4885

“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.