SCHEMBL21264134

SCHEMBL21264134

CNNc1cccc(CO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ APP P05067 2/20 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
SCHEMBL28521553 0.88 APP (0.40) BACE1IRAK4KCNH2APP
SCHEMBL20436541 0.84 BACE1 (0.34) BACE1IRAK4KCNH2
SCHEMBL11915102 0.83 BACE1 (0.33) BACE1IRAK4KCNH2
SCHEMBL20436539 0.82 CACNA1C (0.41) BACE1IRAK4KCNH2APP
SCHEMBL20436543 0.81 MEN1 (0.37) BACE1IRAK4KCNH2
SCHEMBL4505482 0.78 PDE5A (0.42) BACE1
SCHEMBL379113 0.78 KCNH2 (0.38) BACE1IRAK4KCNH2
SCHEMBL537628 0.78 MBOAT4 (0.38) BACE1IRAK4KCNH2
SCHEMBL29994742 0.78 KCNH2 (0.38) BACE1IRAK4KCNH2
SCHEMBL20416633 0.77 BACE1 (0.37) BACE1IRAK4

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
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 — — US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 — — 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 (2 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-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 BACE1 3533/4885IRAK4 1/4885KCNH2 4688/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 BACE1 3533/4885IRAK4 1/4885KCNH2 4688/4885

“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.

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