SCHEMBL4997151

SCHEMBL4997151

CC1(c2cccc(Br)c2)Cc2ccccc2C(N)=N1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.44
CTSD P07339 1/20 0.44
UTS2R Q9UKP6 1/20 0.42
NOS2 P35228 3/20 0.37
NOS3 P29474 2/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
DHFR P00374 1/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL8233734 0.84 BACE1 (0.44) BACE1UTS2RTSHRKMT2AKCNH2
SCHEMBL14010658 0.82 UTS2R (0.40) BACE1CTSDUTS2RNOS2NOS3
SCHEMBL5001668 0.79 UTS2R (0.41) BACE1CTSDUTS2RALDH1A1KMT2A
SCHEMBL8234440 0.78 UTS2R (0.38) BACE1CTSDUTS2RNOS2NOS3
SCHEMBL8240666 0.78 BACE1 (0.58) BACE1KCNH2
Trifluoroacetic Acid SCHEMBL5001868 0.75 BACE1 (0.44) BACE1UTS2RTSHRKMT2AKCNH2
SCHEMBL8234637 0.74 BACE1 (0.43) BACE1
Trifluoroacetic Acid SCHEMBL5007677 0.73 UTS2R (0.37) BACE1CTSDUTS2RKMT2A
SCHEMBL2087166 0.73 BACE1 (0.50) BACE1CTSDUTS2RNOS2DHFR
SCHEMBL5025676 0.72 BACE1 (0.38) BACE1CTSDUTS2RALDH1A1

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
CN-101360714-A Novel 2-amino-heterocycles useful in the treatment of abeta-related pathologies ASTRAZENECA AB (SE) 2009-02-04 CN claimed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US claimed
EP-1957462-A2 NOVEL 2-AMINO-HETEROCYCLES UDEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES Astra Zeneca AB (SE) 2008-08-20 EP claimed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 WO claimed
CN-101360714-A Novel 2-amino-heterocycles useful in the treatment of abeta-related pathologies ASTRAZENECA AB (SE) 2009-02-04 CN disclosed
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
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1957462-A2 NOVEL 2-AMINO-HETEROCYCLES UDEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES Astra Zeneca AB (SE) 2008-08-20 EP disclosed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies PSEN2, APP, PSEN1 BACE1 4/4885CTSD 2656/4885UTS2R 1765/4885

“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.