SCHEMBL4769670

SCHEMBL4769670

Cn1cc(-c2cc3c([nH]2)c(=O)n(C2=CC=C2)c(=O)n3C2=CC=C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.38
ADORA2B P29275 7/20 0.38
BTK Q06187 2/20 0.36
TTK P33981 3/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
BRD4 O60885 1/20 0.32
EPHX2 P34913 1/20 0.32
PIK3CA P42336 1/20 0.31
KDM5B Q9UGL1 2/20 0.31
MAPK1 P28482 1/20 0.31
ACVR1 Q04771 1/20 0.31

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
SCHEMBL4767539 0.83 ADORA2B (0.42) ADORA2AADORA2BADORA3ADORA1BRD4
SCHEMBL4769043 0.81 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1KDM5B
SCHEMBL4769046 0.76 ADORA2B (0.48) ADORA2AADORA2BADORA1
SCHEMBL4768981 0.74 ADORA2B (0.50) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4763184 0.72 ADORA2B (0.51) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4769664 0.72 PIK3CA (0.41) ADORA2AADORA2BBTKPIK3CA
SCHEMBL4766303 0.72 ADORA2B (0.36) ADORA2AADORA2BBTKTTKAURKA
SCHEMBL4763907 0.70 ADORA2B (0.60) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4771181 0.70 ADORA2B (0.46) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4771333 0.70 ADORA2A (0.57) ADORA2AADORA2BADORA3ADORA1

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 1/4885BTK 4169/4885

“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.