SCHEMBL6024017

SCHEMBL6024017

CC(=O)C(CCCc1ccccc1)n1cnc2c(=O)[nH]c(Cc3ccc(OC(F)F)c([N+](=O)[O-])c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.41
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 1/20 0.31
RNASEH1 O60930 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
POLB P06746 1/20 0.30
PDE9A O76083 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL6024137 0.89 PDE2A (0.42) PDE2A
SCHEMBL6024368 0.89 PDE2A (0.46) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL6024717 0.89 PDE2A (0.46) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL6023491 0.89 PDE2A (0.44) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL6023455 0.87 PDE2A (0.43) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL359546 0.84 PDE2A (0.51) PDE2ATP53ALDH1A1RNASEH1SMN1; SMN2
SCHEMBL6023286 0.81 PDE2A (0.37) PDE2AALDH1A1RNASEH1
SCHEMBL6023285 0.81 PDE2A (0.38) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL6024460 0.81 PDE2A (0.38) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL6024621 0.81 PDE2A (0.36) PDE2AMAPTLMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106037-A1 Purin-6-one-derivatives ALTANA PHARMA AG (DE) 2006-05-18 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-20060106037-A1 Purin-6-one-derivatives PDE4B, PDE4A, PDE2A PDE2A 3/4885PDE4A 2/4885PDE4B 1/4885

“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.