SCHEMBL3249126

SCHEMBL3249126

COc1cccc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)c3ncccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.50
KCNH2 Q12809 9/20 0.50
BACE2 Q9Y5Z0 3/20 0.38
OPRD1 P41143 1/20 0.36
SYK P43405 1/20 0.36
CTSD P07339 2/20 0.36
CTSE P14091 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL3358449 0.90 BACE1 (0.51) BACE1KCNH2BACE2CTSD
SCHEMBL3239135 0.86 BACE1 (0.47) BACE1KCNH2BACE2CTSD
SCHEMBL3236744 0.85 BACE1 (0.47) BACE1KCNH2BACE2
SCHEMBL3243720 0.85 BACE1 (0.48) BACE1KCNH2BACE2CTSDCTSE
SCHEMBL3239035 0.84 BACE1 (0.52) BACE1KCNH2BACE2SYKOPRL1
SCHEMBL3357632 0.84 BACE1 (0.52) BACE1KCNH2BACE2SYKCTSD
SCHEMBL3243555 0.83 BACE1 (0.45) BACE1KCNH2
SCHEMBL3358459 0.83 BACE1 (0.44) BACE1KCNH2BACE2CTSD
SCHEMBL3358223 0.82 BACE1 (0.49) BACE1KCNH2BACE2CTSD
SCHEMBL2465242 0.81 BACE1 (0.55) 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
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4652/4885BACE2 12/4885

“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.