SCHEMBL4763154

SCHEMBL4763154

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
ADORA2A P29274 4/20 0.38
ADORA2B P29275 3/20 0.38
CREBBP Q92793 3/20 0.38
OPRM1 P35372 1/20 0.36
PDE9A O76083 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
SLC6A2 P23975 3/20 0.35
PIK3CA P42336 2/20 0.35
EGFR P00533 1/20 0.35
BRD4 O60885 4/20 0.34

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
SCHEMBL4771398 0.90 ADORA2A (0.38) BTKADORA2AADORA2BCREBBPOPRM1
SCHEMBL4765115 0.86 ADORA2A (0.44) BTKADORA2AADORA2BCREBBPPDE9A
SCHEMBL4791586 0.85 ADORA2B (0.43) ADORA2AADORA2BCREBBPADORA3ADORA1
SCHEMBL4771591 0.83 ADORA2B (0.45) ADORA2AADORA2BADORA3ADORA1PIK3CA
SCHEMBL4769664 0.82 PIK3CA (0.41) BTKADORA2AADORA2BCREBBPPIK3CA
SCHEMBL4763155 0.80 ADORA2B (0.44) BTKADORA2AADORA2BPDE9AADORA3
SCHEMBL4867651 0.78 CREBBP (0.37) CREBBPOPRM1PDE9ASLC6A2PIK3CA
SCHEMBL4771497 0.78 ADORA2B (0.43) ADORA2AADORA2BCREBBPPDE9AADORA3
SCHEMBL4762252 0.76 ADORA2B (0.43) BTKADORA2AADORA2BCREBBPPDE9A
SCHEMBL4765716 0.75 ADORA2A (0.43) ADORA2AADORA2BCREBBPPDE9AADORA3

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 BTK 4169/4885ADORA2A 2/4885ADORA2B 1/4885

“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.