SCHEMBL4769024

SCHEMBL4769024

COc1ccc(Cn2c(=O)n(C(F)c3ccccc3)c(=O)c3[nH]c(-c4cnn(C)c4)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.43
ADORA2A P29274 9/20 0.43
PDE1A P54750 4/20 0.41
PDE1B Q01064 4/20 0.41
PDE1C Q14123 4/20 0.41
ADORA1 P30542 4/20 0.40
PIK3CD O00329 2/20 0.40
ADORA3 P0DMS8 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GABRA5 P31644 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 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
SCHEMBL4767752 0.91 ADORA2A (0.40) ADORA2BADORA2APDE1APDE1BPDE1C
SCHEMBL4767590 0.87 ADORA2B (0.43) ADORA2BADORA2APDE1APDE1BPDE1C
SCHEMBL4766141 0.86 ADORA2B (0.57) ADORA2BADORA2APDE1APDE1BPDE1C
SCHEMBL4769233 0.85 ADORA2B (0.46) ADORA2BADORA2APDE1APDE1BPDE1C
SCHEMBL4769018 0.83 ADORA2A (0.48) ADORA2BADORA2AADORA1ADORA3GRIN1
SCHEMBL4762252 0.82 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4769796 0.79 ADORA2B (0.49) ADORA2BADORA2APDE1APDE1BPDE1C
SCHEMBL4763685 0.79 ADORA2A (0.50) ADORA2BADORA2AADORA1PIK3CDADORA3
SCHEMBL4862736 0.79 PDE1A (0.40) PDE1APDE1BPDE1CPIK3CDADORA3
SCHEMBL4771393 0.75 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3

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 ADORA2B 1/4885ADORA2A 2/4885PDE1A 912/4885

“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.