SCHEMBL4765716

SCHEMBL4765716

CC(c1ccccc1)n1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)cc2n(C(C)c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.43
ADORA2B P29275 4/20 0.43
ADORA1 P30542 2/20 0.43
KDM5B Q9UGL1 3/20 0.41
KDM5A P29375 1/20 0.38
CREBBP Q92793 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.35
STAT6 P42226 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4764038 0.89 ADORA2B (0.44) ADORA2AADORA2BADORA1KDM5BKDM5A
SCHEMBL4765115 0.88 ADORA2A (0.44) ADORA2AADORA2BADORA1CREBBPADORA3
SCHEMBL4771398 0.86 ADORA2A (0.38) ADORA2AADORA2BADORA1KDM5BKDM5A
SCHEMBL4765374 0.86 ADORA2A (0.43) ADORA2AADORA2BADORA1KDM5BKDM5A
SCHEMBL4769151 0.86 ADORA2A (0.41) ADORA2AADORA2BADORA1KDM5BKDM5A
SCHEMBL4771107 0.80 ADORA2B (0.49) ADORA2AADORA2BADORA1CREBBPADORA3
SCHEMBL4762531 0.78 ADORA2B (0.52) ADORA2AADORA2BADORA1KDM5BADORA3
SCHEMBL4762597 0.78 ADORA2B (0.51) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4771497 0.77 ADORA2B (0.43) ADORA2AADORA2BADORA1CREBBPADORA3
SCHEMBL4769276 0.76 ADORA2A (0.54) 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 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 ADORA2A 2/4885ADORA2B 1/4885ADORA1 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.