SCHEMBL4863596

SCHEMBL4863596

CCn1c(=O)c([N+](=O)[O-])c(-c2cnn(C)c2)n(CC(C)C)c1=O.c1cc2cc-2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.38
ADORA2B P29275 8/20 0.38
ADORA1 P30542 8/20 0.38
ADORA3 P0DMS8 5/20 0.38
CFTR P13569 2/20 0.38
BRD4 O60885 1/20 0.36
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
PARG Q86W56 3/20 0.36
EGFR P00533 1/20 0.35
MET P08581 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4860816 0.89 PARG (0.38) ADORA2AADORA2BADORA1ADORA3CFTR
SCHEMBL4868150 0.87 HSP90AA1 (0.43) ADORA2AADORA2BADORA1ADORA3CFTR
SCHEMBL4863904 0.84 ALDH1A1 (0.37) ADORA2AADORA2BADORA1CFTRBRD4
SCHEMBL4865956 0.83 RGS4 (0.38) ADORA2AADORA2BADORA1ADORA3TNF
SCHEMBL4865963 0.83 ADORA2B (0.45) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL4863589 0.83 ADORA2B (0.41) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL4768024 0.83 MITF (0.39) ADORA2AADORA2BADORA1ADORA3CFTR
SCHEMBL4897003 0.81 ADORA2B (0.46) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL4863582 0.80 DCTPP1 (0.37) ADORA2AADORA2BADORA1ADORA3BRD4
SCHEMBL4864869 0.79 ADORA2B (0.36) ADORA2AADORA2BADORA1ADORA3NPC1

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 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.