SCHEMBL4763155

SCHEMBL4763155

Cn1cc(-c2cc3c([nH]2)c(=O)n(C2CCC2)c(=O)n3CCc2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.44
ADORA2A P29274 10/20 0.44
ADORA1 P30542 6/20 0.44
ADORA3 P0DMS8 4/20 0.44
CACNA1G O43497 2/20 0.39
CACNA1H O95180 2/20 0.39
EGFR P00533 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BTK Q06187 1/20 0.37
PDE9A O76083 1/20 0.37

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
SCHEMBL4771400 0.90 ADORA2B (0.42) ADORA2BADORA2AADORA1ADORA3CACNA1G
SCHEMBL4765122 0.86 ADORA2B (0.58) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4791588 0.85 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL4771598 0.83 ADORA2B (0.48) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4769664 0.82 PIK3CA (0.41) ADORA2BADORA2AEGFRBTK
SCHEMBL4763154 0.80 BTK (0.40) ADORA2BADORA2AADORA1ADORA3EGFR
SCHEMBL4771508 0.80 ADORA2B (0.50) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4767535 0.78 ADORA2B (0.41) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4867656 0.75 CACNA1G (0.36) ADORA2BADORA2AADORA1CACNA1GCACNA1H
SCHEMBL4769036 0.75 ADORA2B (0.41) ADORA2BADORA2AADORA1ADORA3ALDH1A1

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 5 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
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO 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.