SCHEMBL4771591

SCHEMBL4771591

CC(c1ccccc1)n1c(=O)n(C2CCC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4C(F)(F)F)c3)cc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.45
ADORA1 P30542 10/20 0.45
ADORA2A P29274 8/20 0.45
ADORA3 P0DMS8 5/20 0.36
CHRM1 P11229 3/20 0.36
C5AR1 P21730 5/20 0.35
TACR1 P25103 1/20 0.34
PIK3CA P42336 1/20 0.34
DRD2 P14416 1/20 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
SCHEMBL4791586 0.90 ADORA2B (0.43) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4762597 0.89 ADORA2B (0.51) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4768977 0.88 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3CHRM1
SCHEMBL4771598 0.83 ADORA2B (0.48) ADORA2BADORA1ADORA2AADORA3C5AR1
SCHEMBL4763154 0.83 BTK (0.40) ADORA2BADORA1ADORA2AADORA3PIK3CA
SCHEMBL4891718 0.82 ADORA2B (0.41) ADORA2BADORA1ADORA2AADORA3CHRM1
SCHEMBL4769534 0.82 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4771398 0.81 ADORA2A (0.38) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4890722 0.80 ADORA2B (0.48) ADORA2BADORA1ADORA2AADORA3C5AR1
SCHEMBL4769012 0.80 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3

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 1/4885ADORA1 4/4885ADORA2A 2/4885

“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.