SCHEMBL4766006

SCHEMBL4766006

Cc1c([N+](=O)[O-])c(=O)n(Cc2ccncc2)c(=O)n1Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.40
POLB P06746 2/20 0.39
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DCTPP1 Q9H773 2/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
AGTR1 P30556 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4769688 0.90 PDE4A (0.40) PDE4AHSPD1HSPE1KMT2AMEN1
SCHEMBL4766012 0.89 PDE4A (0.38) PDE4AHSPD1HSPE1KMT2AMEN1
SCHEMBL4771305 0.89 HTT (0.44) PDE4AHSPD1HSPE1KMT2AMEN1
SCHEMBL4767937 0.88 PDE4A (0.46) PDE4AHSPD1HSPE1KMT2AMEN1
SCHEMBL4767325 0.83 P2RX3 (0.54) HSPD1HSPE1KMT2AMEN1P2RX3
SCHEMBL4765601 0.82 PDE4A (0.40) PDE4AHSPD1HSPE1KMT2AMEN1
SCHEMBL4770686 0.81 DCTPP1 (0.51) KMT2AMEN1ALDH1A1ADORA3DCTPP1
SCHEMBL4765819 0.78 HSPD1 (0.42) PDE4AHSPD1HSPE1KMT2AMEN1
SCHEMBL4767339 0.78 HSPD1 (0.40) HSPD1HSPE1KMT2AMEN1HTT
SCHEMBL4866480 0.77 PARG (0.42) PDE4AHSPD1HSPE1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
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 PDE4A 182/4885HSPD1 1658/4885HSPE1 2488/4885

“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.