SCHEMBL4866693

SCHEMBL4866693

COc1ccc(Cn2c(-c3cnn(Cc4ccccc4F)c3)c([N+](=O)[O-])c(=O)n(C(F)c3ccccc3)c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GNRHR P30968 4/20 0.37
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
ERCC5 P28715 1/20 0.36
ALDH1A1 P00352 2/20 0.34
DCTPP1 Q9H773 2/20 0.34
GABRA5 P31644 1/20 0.34
PARG Q86W56 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL4889399 0.91 NPBWR1 (0.41) ADORA2AADORA2BADORA1GNRHRPDE1A
SCHEMBL4866971 0.90 ADORA2B (0.44) ADORA2AADORA2BADORA1TP53MAPT
SCHEMBL4866686 0.89 MAPT (0.44) ADORA2AADORA2BADORA1TP53MAPT
SCHEMBL4862736 0.87 PDE1A (0.40) TP53MAPTSMN1; SMN2PDE1APDE1B
SCHEMBL4762384 0.86 ALDH1A1 (0.38) ADORA2AADORA2BADORA1TP53MAPT
SCHEMBL4762387 0.86 ALDH1A1 (0.38) ADORA2AADORA2BADORA1TP53MAPT
SCHEMBL4867858 0.85 PDE1A (0.39) TP53MAPTSMN1; SMN2PDE1APDE1B
SCHEMBL4864909 0.85 ADORA2B (0.43) ADORA2AADORA2BADORA1MAPTGNRHR
SCHEMBL4867838 0.84 ADORA2B (0.40) ADORA2AADORA2BADORA1TP53MAPT
SCHEMBL4889396 0.84 ADORA2B (0.43) ADORA2AADORA2BADORA1TP53MAPT

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.