SCHEMBL4499203

SCHEMBL4499203

Nc1nc(Cc2cncc(Br)c2)cc(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.48
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
XDH P47989 6/20 0.38
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TYMS P04818 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL4150133 0.80 BACE1 (0.57) BACE1CYP3A4BLMXDHPOLB
SCHEMBL5907152 0.74 BACE1 (0.74) BACE1CYP3A4BLMXDHPOLB
SCHEMBL4143300 0.73 BACE1 (0.53) BACE1CYP3A4BLMXDHPOLB
SCHEMBL4143461 0.72 BACE1 (0.56) BACE1KDM4E
SCHEMBL4142794 0.71 BACE1 (0.73) BACE1CYP3A4BLMXDHABL1
SCHEMBL4136769 0.70 BACE1 (0.72) BACE1CYP3A4BLMXDH
SCHEMBL6068586 0.69 POLB (0.55) BACE1CYP3A4BLMXDHPOLB
SCHEMBL13914840 0.69 BACE1 (0.57) BACE1CYP3A4BLMXDHPOLB
SCHEMBL2403638 0.68 BACE1 (0.73) BACE1CYP3A4BLMXDHPOLB
SCHEMBL10617521 0.68 BACE1 (0.62) BACE1CYP3A4BLMXDHPOLB

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 3 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
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 BACE1 3/4885CYP3A4 2100/4885BLM 3274/4885

“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.