SCHEMBL4765115

SCHEMBL4765115

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.44
ADORA2B P29275 4/20 0.44
CREBBP Q92793 5/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 2/20 0.40
BRD4 O60885 4/20 0.39
PDE9A O76083 1/20 0.38
BTK Q06187 1/20 0.38
PARG Q86W56 1/20 0.37
PFKFB3 Q16875 1/20 0.36
EPHX2 P34913 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL4771497 0.88 ADORA2B (0.43) ADORA2AADORA2BCREBBPADORA3ADORA1
SCHEMBL4765716 0.88 ADORA2A (0.43) ADORA2AADORA2BCREBBPADORA3ADORA1
SCHEMBL4763154 0.86 BTK (0.40) ADORA2AADORA2BCREBBPADORA3ADORA1
SCHEMBL4762252 0.86 ADORA2B (0.43) ADORA2AADORA2BCREBBPADORA3ADORA1
SCHEMBL4771107 0.81 ADORA2B (0.49) ADORA2AADORA2BCREBBPADORA3ADORA1
SCHEMBL4766303 0.80 ADORA2B (0.36) ADORA2AADORA2BADORA3ADORA1BRD4
SCHEMBL4762597 0.79 ADORA2B (0.51) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4764038 0.77 ADORA2B (0.44) ADORA2AADORA2BCREBBPADORA3ADORA1
SCHEMBL4771398 0.77 ADORA2A (0.38) ADORA2AADORA2BCREBBPADORA3ADORA1
SCHEMBL4859850 0.74 DCTPP1 (0.41) CREBBPBRD4PFKFB3EPHX2

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 1/4885CREBBP 2825/4885

“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.