SCHEMBL4863589

SCHEMBL4863589

CC(C)Cn1c(-c2cnn(C)c2)c([N+](=O)[O-])c(=O)n(CCc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.41
ADORA1 P30542 5/20 0.41
ADORA2A P29274 5/20 0.41
ADORA3 P0DMS8 3/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPE1 P61604 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.36
PARG Q86W56 2/20 0.36
CNOT7 Q9UIV1 1/20 0.35

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
SCHEMBL4859855 0.92 MAPT (0.41) ADORA2BADORA1ADORA2AADORA3MAPK1
SCHEMBL4868140 0.90 ADORA1 (0.42) ADORA2BADORA1ADORA2AADORA3MAPK1
SCHEMBL4860816 0.89 PARG (0.38) ADORA2BADORA1ADORA2AADORA3NPSR1
SCHEMBL4865958 0.84 ADORA2B (0.46) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4863582 0.83 DCTPP1 (0.37) ADORA2BADORA1ADORA2AADORA3NPSR1
SCHEMBL4863596 0.83 ADORA2A (0.38) ADORA2BADORA1ADORA2AADORA3LMNA
SCHEMBL4896993 0.83 ADORA2B (0.48) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4768028 0.81 MAPK1 (0.39) ADORA2BADORA1ADORA2AADORA3MAPK1
SCHEMBL4768016 0.81 MAPK1 (0.39) ADORA2BADORA1ADORA2AADORA3MAPK1
SCHEMBL4866000 0.81 HSP90AA1 (0.47) ADORA2BADORA1ADORA2AADORA3LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ADORA1 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.