SCHEMBL3361377

SCHEMBL3361377

COc1ccc(C2(c3cccc(Br)c3)N=C(N)c3ncccc32)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.44
CTSD P07339 7/20 0.44
BACE2 Q9Y5Z0 7/20 0.44
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 2/20 0.34
REN P00797 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NSD2 O96028 1/20 0.33
CASP6 P55212 1/20 0.33
G6PD P11413 1/20 0.33
GRM4 Q14833 2/20 0.32
MAPK10 P53779 2/20 0.32
MAPK14 Q16539 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
SCHEMBL3358009 0.85 BACE1 (0.36) BACE1CTSDBACE2KCNH2REN
SCHEMBL3769867 0.85 BACE1 (0.49) BACE1CTSDBACE2KCNH2
SCHEMBL7939980 0.84 BACE1 (0.44) BACE1CTSDBACE2MEN1KMT2A
SCHEMBL3356546 0.84 BACE1 (0.55) BACE1CTSDBACE2KCNH2REN
SCHEMBL3243716 0.82 BACE1 (0.40) BACE1CTSDBACE2MEN1KMT2A
SCHEMBL3358481 0.82 BACE1 (0.51) BACE1CTSDBACE2KCNH2REN
SCHEMBL2466046 0.82 BACE1 (0.52) BACE1CTSDBACE2KCNH2
SCHEMBL3777038 0.79 BACE1 (0.46) BACE1CTSDBACE2KCNH2
SCHEMBL3359611 0.79 BACE1 (0.37) BACE1CTSDBACE2KCNH2
SCHEMBL3358026 0.78 BACE1 (0.37) BACE1CTSDBACE2KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 BACE1 3/4885CTSD 413/4885BACE2 10/4885

“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.