SCHEMBL24345435

SCHEMBL24345435

COc1cc(C(C)(C)C)cc2cn(C3CC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.43
IRAK4 Q9NWZ3 8/20 0.41
IRAK1 P51617 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDE4B Q07343 1/20 0.38
TLR8 Q9NR97 5/20 0.33
TLR9 Q9NR96 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
TLR4 O00206 2/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL25114046 0.80 PDE4D (0.45) PDE4DIRAK4IRAK1KCNH2PDE4B
SCHEMBL26762028 0.78 PDE4D (0.43) PDE4DIRAK4IRAK1KCNH2PDE4B
SCHEMBL25113904 0.78 PDE4D (0.43) PDE4DIRAK4IRAK1KCNH2PDE4B
SCHEMBL25113851 0.76 PDE4D (0.46) PDE4DIRAK4IRAK1KCNH2PDE4B
SCHEMBL26831046 0.75 IRAK4 (0.46) PDE4DIRAK4IRAK1KCNH2
SCHEMBL25114616 0.71 IRAK4 (0.43) PDE4DIRAK4IRAK1KCNH2
SCHEMBL29751483 0.70 IRAK4 (0.42) PDE4DIRAK4IRAK1KCNH2
SCHEMBL24608088 0.70 IRAK4 (0.42) PDE4DIRAK4IRAK1KCNH2
SCHEMBL24345431 0.69 FPR2 (0.34)
SCHEMBL24447954 0.68 PDE4D (0.36) PDE4DIRAK4IRAK1KCNH2PDE4B

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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN PDE4D 1685/4885IRAK4 2872/4885IRAK1 2721/4885

“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.