SCHEMBL29326477

SCHEMBL29326477

Cc1cc(-c2cccc(Cl)c2-c2cc3[nH]c(=O)n(-c4cccc5ccccc45)c(=O)c3s2)cn2ncnc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HAVCR2 Q8TDQ0 2/20 0.32
JAK2 O60674 2/20 0.31
BTK Q06187 2/20 0.31
TLR9 Q9NR96 8/20 0.31
TLR8 Q9NR97 8/20 0.31
TLR7 Q9NYK1 8/20 0.31
MALT1 Q9UDY8 1/20 0.30
PTGES O14684 1/20 0.30
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL27378589 0.93 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14ERCC5
SCHEMBL29326481 0.89 TLR8 (0.33) MAPK13MAPK12MAPK11MAPK14ERCC5
SCHEMBL29326450 0.86 PTGES (0.38) MAPK13MAPK12MAPK11MAPK14HAVCR2
SCHEMBL27192161 0.84 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14MALT1
SCHEMBL27378590 0.82 TLR8 (0.31) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL29326472 0.81 ERCC5 (0.36) ERCC5FEN1CYP1A1CYP1B1HAVCR2
SCHEMBL29326467 0.80 ERCC5 (0.44) ERCC5FEN1CYP1A1CYP1B1MALT1
SCHEMBL29326475 0.79 ERCC5 (0.39) ERCC5FEN1CYP1A1CYP1B1JAK2
SCHEMBL29326203 0.78 TLR9 (0.36) ERCC5FEN1TLR9TLR8TLR7
SCHEMBL29326196 0.77 CYP1A1 (0.44) ERCC5FEN1CYP1A1CYP1B1HAVCR2

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 MAPK13 2989/4885MAPK12 3296/4885MAPK11 3640/4885

“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.