SCHEMBL4142991

SCHEMBL4142991

Nc1nc(CCc2ccc3ccccc3c2)cc(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.74
XDH P47989 6/20 0.50
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
DHODH Q02127 1/20 0.41
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
CYP1A2 P05177 1/20 0.40
NOS1 P29475 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
SCHEMBL4141928 0.85 BACE1 (1.00) BACE1XDHCYP3A4BLM
SCHEMBL4142291 0.81 BACE1 (0.75) BACE1XDHABL1RIN1CYP3A4
SCHEMBL4134277 0.81 BACE1 (0.79) BACE1XDH
SCHEMBL4139678 0.80 BACE1 (1.00) BACE1XDHABL1RIN1CYP3A4
SCHEMBL4142794 0.79 BACE1 (0.73) BACE1XDHABL1RIN1CYP3A4
SCHEMBL4142212 0.79 BACE1 (0.76) BACE1XDH
SCHEMBL4136769 0.79 BACE1 (0.72) BACE1XDHCYP3A4BLMNOS1
SCHEMBL4146920 0.76 BACE1 (0.68) BACE1XDHABL1RIN1
SCHEMBL5907152 0.74 BACE1 (0.74) BACE1XDHCYP3A4BLM
SCHEMBL4141246 0.73 BACE1 (0.62) BACE1XDH

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 2 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

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 BACE1 3/4885XDH 951/4885ABL1 2655/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885XDH 259/4885ABL1 1830/4885

“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.