SCHEMBL3358464

SCHEMBL3358464

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
BACE1 P56817 4/20 0.30
KCNH2 Q12809 3/20 0.30

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
SCHEMBL3360710 0.86 BACE1 (0.31) BACE1KCNH2
SCHEMBL3249132 0.84 KDM1A (0.38) BACE1KCNH2
SCHEMBL3357636 0.82 BACE1 (0.36) BACE1KCNH2
SCHEMBL3358453 0.79 BACE1 (0.37) BACE1KCNH2
SCHEMBL3239041 0.79 BACE1 (0.36) BACE1KCNH2
SCHEMBL3358228 0.77 BACE1 (0.36) BACE1KCNH2
SCHEMBL3358442 0.76 BACE1 (0.42) BACE1KCNH2
SCHEMBL3359269 0.76 BACE1 (0.48) BACE1KCNH2
SCHEMBL3358459 0.76 BACE1 (0.44) PTGS1PTGS2BACE1KCNH2
SCHEMBL3239146 0.75 P2RX7 (0.34) BACE1KCNH2

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
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

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 PTGS1 1510/4885PTGS2 2308/4885BACE1 3/4885

“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.