SCHEMBL4771398

SCHEMBL4771398

CC(c1ccccc1)n1c(=O)n(C2CCC2)c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.38
ADORA2B P29275 4/20 0.38
ADORA1 P30542 2/20 0.38
MTOR P42345 1/20 0.38
KDM5B Q9UGL1 1/20 0.36
CREBBP Q92793 3/20 0.35
OPRM1 P35372 1/20 0.34
KDM5A P29375 2/20 0.34
SLC6A2 P23975 4/20 0.34
BTK Q06187 1/20 0.33
BRD4 O60885 1/20 0.33
PDE9A O76083 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL4763154 0.90 BTK (0.40) ADORA2AADORA2BADORA1CREBBPOPRM1
SCHEMBL4765716 0.86 ADORA2A (0.43) ADORA2AADORA2BADORA1KDM5BCREBBP
SCHEMBL4769036 0.86 ADORA2B (0.41) ADORA2AADORA2BADORA1MTORKDM5B
SCHEMBL4791586 0.82 ADORA2B (0.43) ADORA2AADORA2BADORA1CREBBPADORA3
SCHEMBL4771591 0.81 ADORA2B (0.45) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4771400 0.79 ADORA2B (0.42) ADORA2AADORA2BADORA1MTORPDE9A
SCHEMBL4864147 0.79 HSP90AA1 (0.41) ADORA2AADORA2BADORA1MTORKDM5B
SCHEMBL4764038 0.78 ADORA2B (0.44) ADORA2AADORA2BADORA1KDM5BCREBBP
SCHEMBL4765115 0.77 ADORA2A (0.44) ADORA2AADORA2BADORA1CREBBPBTK
SCHEMBL4763932 0.76 ADORA2B (0.41) ADORA2AADORA2BADORA1MTORADORA3

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.