SCHEMBL4146196

SCHEMBL4146196

Nc1nc(-c2ccccc2OCc2ccccc2)cc(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.65
BACE1 P56817 1/20 0.53
BRD4 O60885 3/20 0.49
PDE5A O76074 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TLR4 O00206 1/20 0.46
TLR3 O15455 1/20 0.46
TLR5 O60602 1/20 0.46
TLR2 O60603 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
CAMK1 Q14012 1/20 0.46
CAMK4 Q16566 1/20 0.46
PNCK Q6P2M8 1/20 0.46
CAMK1D Q8IU85 1/20 0.46
CAMK1G Q96NX5 1/20 0.46

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
SCHEMBL4149619 0.79 XDH (1.00) XDHBACE1
SCHEMBL4149108 0.77 XDH (0.77) XDHBACE1
SCHEMBL28514992 0.75 ACHE (0.51) BRD4PDE5ATLR4TLR3TLR5
SCHEMBL9905228 0.74 BRD4 (0.52) BRD4PDE5APDE4APDE4BPDE4C
SCHEMBL4142212 0.73 BACE1 (0.76) XDHBACE1
SCHEMBL21885713 0.73 XDH (0.61) XDHBACE1
SCHEMBL4142364 0.73 XDH (0.61) XDHBACE1
SCHEMBL13851581 0.73 POLB (0.63) BRD4PDE5APDE4APDE4BPDE4C
SCHEMBL8597102 0.72 BRD4 (0.50) BRD4TLR4TLR3TLR5TLR2
SCHEMBL8265140 0.72 BACE1 (0.67) XDHBACE1

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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
CN-101084198-A Substituted amino-pyrimidones and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-101084199-A Substituted amino-compounds and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN 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 (2 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 XDH 951/4885BACE1 3/4885BRD4 3927/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 XDH 259/4885BACE1 4/4885BRD4 2822/4885

“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.