SCHEMBL4864036

SCHEMBL4864036

COc1ccc(Cn2c(-c3cnn(C)c3)c([N+](=O)[O-])c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MET P08581 1/20 0.42
PDE1A P54750 4/20 0.41
PDE1B Q01064 4/20 0.41
PDE1C Q14123 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA5 P31644 1/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4868188 0.92 DCTPP1 (0.38) DCTPP1ADORA2AADORA2BADORA1MET
SCHEMBL4862734 0.90 MAPT (0.44) DCTPP1ADORA2AADORA2BADORA1NPC1
SCHEMBL4866480 0.86 PARG (0.42) GABRA5
SCHEMBL4862736 0.86 PDE1A (0.40) DCTPP1METPDE1APDE1BPDE1C
SCHEMBL4868365 0.85 ADORA3 (0.41) DCTPP1ADORA2AADORA2BADORA1MAPT
SCHEMBL4866971 0.81 ADORA2B (0.44) DCTPP1ADORA2AADORA2BADORA1NPC1
SCHEMBL4763446 0.81 MAPT (0.52) DCTPP1PDE1APDE1BPDE1CNPC1
SCHEMBL4763451 0.81 MAPT (0.52) DCTPP1PDE1APDE1BPDE1CNPC1
SCHEMBL4869916 0.81 PARG (0.36) GABRA5
SCHEMBL4866686 0.81 MAPT (0.44) DCTPP1ADORA2AADORA2BADORA1MAPT

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 3735/4885ADORA2A 2/4885ADORA2B 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.