SCHEMBL4769018

SCHEMBL4769018

COc1ccc(Cn2c(=O)n(Cc3ccccc3F)c(=O)c3[nH]c(-c4cnn(C)c4)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.48
ADORA2B P29275 8/20 0.48
ADORA1 P30542 6/20 0.44
PCK1 P35558 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL4767588 0.92 ADORA2B (0.52) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4771393 0.91 ADORA2B (0.53) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4762247 0.91 ADORA2B (0.52) ADORA2AADORA2BADORA1PCK1ALDH1A1
SCHEMBL4766141 0.91 ADORA2B (0.57) ADORA2AADORA2BADORA1ADORA3GRIN1
SCHEMBL4767749 0.90 ADORA2A (0.44) ADORA2AADORA2BADORA1TP53MAPT
SCHEMBL4769231 0.86 ADORA2B (0.51) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4769032 0.85 ADORA2B (0.47) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4769796 0.83 ADORA2B (0.49) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4769024 0.83 ADORA2B (0.43) ADORA2AADORA2BADORA1ADORA3GRIN1
SCHEMBL4767590 0.82 ADORA2B (0.43) ADORA2AADORA2BADORA1ADORA3

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.