SCHEMBL14010658

SCHEMBL14010658

NC1=NC(c2ccccc2)(c2cccc(Br)c2)Cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.40
NOS3 P29474 5/20 0.36
BACE1 P56817 6/20 0.35
CTSD P07339 1/20 0.35
TSHR P16473 1/20 0.35
EGFR P00533 1/20 0.34
NOS2 P35228 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL5007677 0.89 UTS2R (0.37) UTS2RBACE1CTSDGAA
SCHEMBL8240547 0.83 BACE1 (0.40) NOS3BACE1CTSDTSHREGFR
SCHEMBL4997151 0.82 BACE1 (0.44) UTS2RNOS3BACE1CTSDTSHR
SCHEMBL8234440 0.79 UTS2R (0.38) UTS2RNOS3BACE1CTSDTSHR
SCHEMBL8240648 0.76 BACE1 (0.60) BACE1CTSD
Trifluoroacetic Acid SCHEMBL5007666 0.75 BACE1 (0.36) UTS2RBACE1CTSDGAA
Trifluoroacetic Acid SCHEMBL5001837 0.74 BACE1 (0.39) BACE1CTSDNPSR1KDM4EHTT
SCHEMBL14804299 0.72 UTS2R (0.47) UTS2RNPSR1GAA
SCHEMBL2285635 0.71 BACE1 (0.49) BACE1CTSD
SCHEMBL2285631 0.71 BACE1 (0.49) BACE1CTSD

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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 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 (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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies PSEN2, APP, PSEN1 UTS2R 1765/4885NOS3 2189/4885BACE1 4/4885

“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.