SCHEMBL3244253

SCHEMBL3244253

O=C(O)NC1=NC(c2cccc(O)c2)(c2ccnc(C(F)(F)F)c2)c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.40
KCNH2 Q12809 5/20 0.40
MALT1 Q9UDY8 1/20 0.35
HDAC4 P56524 2/20 0.34
FAAH O00519 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
SYK P43405 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
SCHEMBL3248773 0.87 BACE1 (0.37) BACE1KCNH2MALT1SMARCA2SMARCA4
SCHEMBL3242312 0.82 BACE1 (0.33) BACE1KCNH2
SCHEMBL3239035 0.82 BACE1 (0.52) BACE1KCNH2SYK
SCHEMBL3247377 0.74 SYK (0.37) BACE1KCNH2SYK
SCHEMBL3359222 0.73 SYK (0.38) TLR7SYK
SCHEMBL3244258 0.72 HDAC4 (0.37) BACE1KCNH2HDAC4FAAHTLR7
SCHEMBL3357632 0.69 BACE1 (0.52) BACE1KCNH2SYK
SCHEMBL3243707 0.69 HDAC4 (0.34) MALT1HDAC4SMARCA2SMARCA4SYK
Trifluoroacetic Acid SCHEMBL3243544 0.68 BACE1 (0.42) BACE1KCNH2
SCHEMBL3360703 0.67 BACE1 (0.46) 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-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4652/4885MALT1 4062/4885

“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.