SCHEMBL4869916

SCHEMBL4869916

Cn1cc(-c2c([N+](=O)[O-])c(=O)n(Cc3ccoc3)c(=O)n2Cc2ccoc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 12/20 0.36
HSPD1 P10809 1/20 0.35
HSPE1 P61604 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
CFTR P13569 1/20 0.32
ERN1 O75460 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL4863899 0.94 PARG (0.38) PARGHSPD1HSPE1GABRA1GABRA5
SCHEMBL4868188 0.92 DCTPP1 (0.38) PARGGABRA5MEN1KMT2A
SCHEMBL4859065 0.84 HSP90AA1 (0.41) HSPD1HSPE1MEN1KMT2ACFTR
SCHEMBL4866480 0.84 PARG (0.42) PARGHSPD1HSPE1GABRA1GABRA5
SCHEMBL4762695 0.81 MAPT (0.36) PARGGABRA1GABRA5MEN1KMT2A
SCHEMBL4762693 0.81 MAPT (0.36) PARGGABRA1GABRA5MEN1KMT2A
SCHEMBL4864036 0.81 DCTPP1 (0.43) GABRA5
SCHEMBL4865534 0.80 ADORA2B (0.43) HSPD1HSPE1MEN1KMT2ACFTR
SCHEMBL4863927 0.80 HSPD1 (0.38) HSPD1HSPE1MEN1KMT2ACFTR
SCHEMBL4860816 0.79 PARG (0.38) PARGBAZ2BBAZ2ACFTRERN1

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 4 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
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO 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 PARG 2467/4885HSPD1 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.