SCHEMBL4863582

SCHEMBL4863582

CC(C)Cn1c(-c2cnn(C)c2)c([N+](=O)[O-])c(=O)n(C(C)c2ccccc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.37
ADORA1 P30542 3/20 0.37
ADORA2B P29275 3/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 2/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 5/20 0.35
EGFR P00533 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PARG Q86W56 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MET P08581 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4868133 0.89 HSP90AA1 (0.43) DCTPP1ADORA1ADORA2BADORA3ADORA2A
SCHEMBL4859850 0.88 DCTPP1 (0.41) DCTPP1BRD4CREBBPALDH1A1
SCHEMBL4860816 0.85 PARG (0.38) ADORA1ADORA2BADORA3ADORA2ABRD4
SCHEMBL4863589 0.83 ADORA2B (0.41) ADORA1ADORA2BADORA3ADORA2ABRD4
SCHEMBL4865952 0.83 ADORA2B (0.41) ADORA1ADORA2BADORA3ADORA2ACREBBP
SCHEMBL4768010 0.82 MITF (0.36) DCTPP1ADORA1ADORA2BADORA3ADORA2A
SCHEMBL4896986 0.81 ADORA2B (0.43) ADORA1ADORA2BADORA3ADORA2AALDH1A1
SCHEMBL4863596 0.80 ADORA2A (0.38) ADORA1ADORA2BADORA3ADORA2ABRD4
SCHEMBL4765579 0.79 GNRHR (0.44) DCTPP1ALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL4866000 0.78 HSP90AA1 (0.47) ADORA1ADORA2BADORA3ADORA2AALDH1A1

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 DCTPP1 3735/4885ADORA1 4/4885ADORA2B 1/4885

“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.