SCHEMBL4150133

SCHEMBL4150133

Nc1nc(Cc2cccc(Br)c2)cc(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.57
XDH P47989 4/20 0.47
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
CCR2 P41597 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
PARP1 P09874 1/20 0.40
PNP P00491 1/20 0.40
HCAR2 Q8TDS4 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
SCHEMBL4136769 0.87 BACE1 (0.72) BACE1XDHUSP2HPGDTSHR
SCHEMBL5907152 0.83 BACE1 (0.74) BACE1XDHPOLBCYP3A4BLM
SCHEMBL13914840 0.83 BACE1 (0.57) BACE1XDHUSP2POLBCYP3A4
SCHEMBL4499203 0.80 BACE1 (0.48) BACE1XDHPOLBCYP3A4BLM
SCHEMBL4142794 0.74 BACE1 (0.73) BACE1XDHHPGDGPR84CYP3A4
SCHEMBL4143300 0.73 BACE1 (0.53) BACE1XDHPOLBCYP3A4BLM
SCHEMBL4141928 0.73 BACE1 (1.00) BACE1XDHHPGDL3MBTL1GPR84
SCHEMBL4133968 0.72 BACE1 (0.79) BACE1HPGD
SCHEMBL4504337 0.72 XDH (0.69) XDHHPGD
SCHEMBL6068586 0.71 POLB (0.55) BACE1XDHHPGDTSHRPOLB

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 11 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
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
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
CN-101084199-A Substituted amino-compounds and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-101084198-A Substituted amino-pyrimidones and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN 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
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 (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 951/4885USP2 2669/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885XDH 259/4885USP2 3017/4885

“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.