SCHEMBL4771327

SCHEMBL4771327

O=c1c2[nH]c(-c3cnn(-c4ccccc4)c3)cc2n(Cc2ccncc2)c(=O)n1Cc1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 15/20 0.43
ADORA2A P29274 13/20 0.43
ADORA1 P30542 12/20 0.43
ADORA3 P0DMS8 4/20 0.39
MKNK1 Q9BUB5 1/20 0.36
FEN1 P39748 1/20 0.35
ERCC5 P28715 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL4770636 0.95 ADORA2A (0.46) ADORA2BADORA2AADORA1ADORA3ERCC5
SCHEMBL4769722 0.92 ADORA2B (0.48) ADORA2BADORA2AADORA1ADORA3MKNK1
SCHEMBL4768991 0.89 ADORA2A (0.44) ADORA2BADORA2AADORA1ADORA3ERCC5
SCHEMBL4762602 0.86 ADORA2B (0.41) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4769313 0.83 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4767640 0.82 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3GRM4
SCHEMBL4769117 0.81 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4763934 0.81 ADORA2B (0.42) ADORA2BADORA2AADORA1ADORA3MKNK1
SCHEMBL4769733 0.80 ADORA2A (0.43) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4763685 0.80 ADORA2A (0.50) ADORA2BADORA2AADORA1ADORA3ERCC5

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885

“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.