SCHEMBL4149124

SCHEMBL4149124

Cn1c(N)nc(Cc2ccccc2)cc1=O

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.76
LTB4R Q15722 2/20 0.53
TLR8 Q9NR97 1/20 0.49
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.47
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PSD A5PKW4 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL4152002 0.89 BACE1 (0.78) BACE1LTB4RTLR8KDM4E
SCHEMBL4142484 0.86 BACE1 (1.00) BACE1TLR8KDM4E
SCHEMBL4152976 0.86 BACE1 (0.64) BACE1LTB4RKDM4EPOLB
SCHEMBL4152977 0.86 BACE1 (0.64) BACE1LTB4RKDM4EPOLB
SCHEMBL4146347 0.84 BACE1 (0.65) BACE1KDM4ECYP3A4PSD
SCHEMBL4133968 0.84 BACE1 (0.79) BACE1
SCHEMBL8265013 0.82 BACE1 (0.68) BACE1LTB4RKDM4ECYP3A4
SCHEMBL4156056 0.82 BACE1 (0.66) BACE1
SCHEMBL4159227 0.81 BACE1 (0.65) BACE1
SCHEMBL4151718 0.81 BACE1 (0.65) BACE1TLR8

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-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

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 3/4885LTB4R 2429/4885TLR8 4136/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885LTB4R 1784/4885TLR8 4240/4885

“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.