SCHEMBL4866480

SCHEMBL4866480

Cn1cc(-c2c([N+](=O)[O-])c(=O)n(Cc3ccncc3)c(=O)n2Cc2ccncc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 4/20 0.42
PDE4A P27815 1/20 0.38
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
RIPK3 Q9Y572 1/20 0.36
POLB P06746 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
WNT1 P04628 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
SCHEMBL4863899 0.91 PARG (0.38) PARGPDE4AHSPD1HSPE1GABRA1
SCHEMBL4864036 0.86 DCTPP1 (0.43) GABRA5
SCHEMBL4867852 0.86 PARG (0.37) PARGPDE4ACYP3A4
SCHEMBL4869916 0.84 PARG (0.36) PARGHSPD1HSPE1GABRA1GABRA5
SCHEMBL4864054 0.83 HSP90AA1 (0.43) PDE4AHSPD1HSPE1KMT2AHTT
SCHEMBL4859855 0.81 MAPT (0.41) HSPD1HSPE1KMT2AHTTMEN1
SCHEMBL4863904 0.81 ALDH1A1 (0.37) PARGPDE4AKMT2AHTTBAZ2B
SCHEMBL4763160 0.80 PARG (0.42) PARGPDE4AGABRA1GABRA5KMT2A
SCHEMBL4763164 0.80 PARG (0.42) PARGPDE4AGABRA1GABRA5KMT2A
SCHEMBL4866426 0.80 ALDH1A1 (0.46) HTTCHRM1

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 5 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
WO-2006060884-A1 7-(2-CYCLOHEXYLIDENE-ETHYLIDENE)-SPIRO[4.5]DECANES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-06-15 WO 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 2467/4885PDE4A 182/4885HSPD1 1658/4885

“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.