SCHEMBL3358459

SCHEMBL3358459

COc1ccc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)c3ncccc32)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.44
KCNH2 Q12809 7/20 0.44
CTSD P07339 5/20 0.33
BACE2 Q9Y5Z0 5/20 0.33
REN P00797 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NSD2 O96028 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL3360703 0.85 BACE1 (0.46) BACE1KCNH2
SCHEMBL2464210 0.85 BACE1 (0.61) BACE1KCNH2BACE2
SCHEMBL3249126 0.83 BACE1 (0.50) BACE1KCNH2CTSDBACE2
SCHEMBL3357632 0.82 BACE1 (0.52) BACE1KCNH2CTSDBACE2
SCHEMBL3358449 0.78 BACE1 (0.51) BACE1KCNH2CTSDBACE2
SCHEMBL3239035 0.78 BACE1 (0.52) BACE1KCNH2BACE2
SCHEMBL3358223 0.76 BACE1 (0.49) BACE1KCNH2CTSDBACE2REN
SCHEMBL3358464 0.76 PTGS1 (0.31) BACE1KCNH2PTGS1PTGS2
SCHEMBL3359264 0.74 BACE1 (0.67) BACE1KCNH2CTSDBACE2
SCHEMBL3358437 0.74 BACE1 (0.59) BACE1KCNH2BACE2

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 3/4885KCNH2 4727/4885CTSD 413/4885

“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.