SCHEMBL4863927

SCHEMBL4863927

O=c1c([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n(Cc2ccncc2)c(=O)n1Cc1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.38
HSPE1 P61604 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PDE4A P27815 1/20 0.37
CFTR P13569 5/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
FEN1 P39748 1/20 0.35
GRM4 Q14833 3/20 0.34
MKNK1 Q9BUB5 1/20 0.34
HTR2B P41595 1/20 0.33
MTNR1A P48039 1/20 0.33
KCNH2 Q12809 1/20 0.33
ERCC5 P28715 1/20 0.33
MELK Q14680 2/20 0.31

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
SCHEMBL4859065 0.95 HSP90AA1 (0.41) HSPD1HSPE1MEN1KMT2AHSP90AA1
SCHEMBL4864054 0.92 HSP90AA1 (0.43) HSPD1HSPE1MEN1KMT2AHSP90AA1
SCHEMBL4865551 0.88 ADORA3 (0.39) HSPD1HSPE1MEN1KMT2AHSP90AA1
SCHEMBL4863899 0.86 PARG (0.38) HSPD1HSPE1MEN1KMT2APDE4A
SCHEMBL4763878 0.84 MEN1 (0.35) HSPD1HSPE1MEN1KMT2APDE4A
SCHEMBL4763875 0.84 MEN1 (0.35) HSPD1HSPE1MEN1KMT2APDE4A
SCHEMBL4859881 0.83 ADORA2B (0.40) HSPD1HSPE1MEN1KMT2APDE4A
SCHEMBL4897242 0.81 ADORA2B (0.42) HSPD1HSPE1MEN1KMT2AADORA2A
SCHEMBL4869916 0.80 PARG (0.36) HSPD1HSPE1MEN1KMT2ACFTR
SCHEMBL4868365 0.79 ADORA3 (0.41) HSPD1HSPE1MEN1KMT2AHSP90AA1

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 HSPD1 1658/4885HSPE1 2488/4885MEN1 4726/4885

“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.