SCHEMBL29326481

SCHEMBL29326481

Cc1c(-c2cccc(Cl)c2-c2cc3[nH]c(=O)n(-c4cccc5ccccc45)c(=O)c3s2)cn2ncnc2c1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.33
TLR7 Q9NYK1 14/20 0.33
TLR9 Q9NR96 10/20 0.33
JAK2 O60674 2/20 0.33
BTK Q06187 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 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
SCHEMBL27378590 0.93 TLR8 (0.31) TLR8TLR7TLR9JAK2BTK
SCHEMBL29326477 0.89 MAPK13 (0.34) TLR8TLR7TLR9JAK2BTK
SCHEMBL27378589 0.82 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14ERCC5
SCHEMBL29326467 0.80 ERCC5 (0.44) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL29326196 0.80 CYP1A1 (0.44) JAK2BTKCYP1A1CYP1B1ERCC5
SCHEMBL29326203 0.79 TLR9 (0.36) TLR8TLR7TLR9ERCC5FEN1
SCHEMBL29326472 0.78 ERCC5 (0.36) JAK2BTKCYP1A1CYP1B1ERCC5
SCHEMBL27379767 0.78 PTGES (0.36) TLR8TLR7TLR9JAK2BTK
SCHEMBL29326162 0.78 CYP1A1 (0.53) JAK2BTKCYP1A1CYP1B1ERCC5
SCHEMBL29326475 0.76 ERCC5 (0.39) JAK2BTKCYP1A1CYP1B1ERCC5

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE TLR8 4595/4885TLR7 4551/4885TLR9 4729/4885

“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.