SCHEMBL16987352

SCHEMBL16987352

C=Cc1cccc(CO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ BTK Q06187 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
SCHEMBL29792058 0.87 DUT (0.32) —
SCHEMBL24618695 0.87 DUT (0.32) —
SCHEMBL947122 0.84 BACE1 (0.36) IRAK4BACE1KCNH2
SCHEMBL28897081 0.83 KCNH2 (0.35) KCNH2BTK
SCHEMBL20436465 0.83 BACE1 (0.35) IRAK4BACE1KCNH2
SCHEMBL24915289 0.82 KDM4E (0.38) IRAK4BACE1KCNH2
SCHEMBL28521511 0.80 IRAK4 (0.36) IRAK4BACE1KCNH2
SCHEMBL20416847 0.77 KCNH2 (0.39) IRAK4BACE1KCNH2
SCHEMBL15968790 0.77 MEN1 (0.39) IRAK4BACE1KCNH2
SCHEMBL20436590 0.77 KCNH2 (0.39) IRAK4BACE1KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2015-08-13 — — 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-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE TRPV1, TRPV5, TRPM5 IRAK4 346/4885BACE1 3758/4885KCNH2 755/4885

“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.

Send feedback