SCHEMBL4762282

SCHEMBL4762282

Cc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 6/20 0.47
PDE1B Q01064 6/20 0.47
PDE1C Q14123 6/20 0.47
PDE2A O00408 3/20 0.47
PDE5A O76074 3/20 0.40
CFTR P13569 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
PDE4A P27815 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA1 P30542 1/20 0.40
SCN1A P35498 1/20 0.40
PDE6C P51160 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL4762458 0.89 PDE1A (0.44) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL4770944 0.89 ADORA2A (0.39) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL17941788 0.83 PDE1A (0.43) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL4763645 0.83 SIRT1 (0.40) PDE1APDE1BPDE1CPDE2ACYP1A2
SCHEMBL4767903 0.81 RGS4 (0.46) PDE1APDE1BPDE1CPDE2ACYP1A2
SCHEMBL4058469 0.81 KDM4E (0.42) PDE4AMAPK1PDE4BPDE4CPDE4D
SCHEMBL4762679 0.81 PDE5A (0.33) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL4766301 0.80 RGS4 (0.47) PDE1APDE1BPDE1CPDE2ACYP1A2
SCHEMBL8174835 0.78 NCOA1 (0.43) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL30799164 0.77 ADORA2B (0.43) MAPK1KDM4EALDH1A1LMNASMN1; SMN2

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
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
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 PDE1A 912/4885PDE1B 545/4885PDE1C 1496/4885

“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.