SCHEMBL4254776

SCHEMBL4254776

CCCCn1c(N)c(N)c(=O)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
ADORA2A P29274 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
RGS4 P49798 4/20 0.42
RGS8 P57771 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 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
SCHEMBL9726148 0.93 TNF (0.47) CCR6L3MBTL1LMNAADORA2APDE4A
SCHEMBL4810587 0.93 TNF (0.47) CCR6L3MBTL1LMNAADORA2APDE4A
SCHEMBL7321782 0.89 ADORA2A (0.46) L3MBTL1LMNAADORA2APDE4APDE4B
SCHEMBL4251917 0.87 PDE4A (0.46) CCR6L3MBTL1LMNAADORA2APDE4A
SCHEMBL8175084 0.84 ADORA2A (0.48) CCR6L3MBTL1LMNAADORA2APDE4A
SCHEMBL5687930 0.79 PDE4A (0.47) LMNAADORA2APDE4APDE4BPDE4C
SCHEMBL3981817 0.77 ADORA2B (0.46) CCR6L3MBTL1LMNAADORA2APDE4A
SCHEMBL3979483 0.76 ADORA2B (0.45) CCR6L3MBTL1LMNAADORA2APDE4A
SCHEMBL4811164 0.76 ALDH1A1 (0.60) L3MBTL1LMNAPDE4APDE4BPDE4C
SCHEMBL4255826 0.75 CASP6 (0.46) CCR6L3MBTL1LMNAADORA2APDE4A

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-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 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-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity XDH, HCAR1, GPR84 CCR6 996/4885L3MBTL1 3486/4885LMNA 2107/4885

“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.