SCHEMBL29326371

SCHEMBL29326371

Cc1c(-c2ccccc2Cl)sc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 2/20 0.36
JAK2 O60674 2/20 0.36
BTK Q06187 2/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35

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
SCHEMBL27378158 0.88 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL29326369 0.83 TRPC5 (0.38) MAPK13MAPK12MAPK11MAPK14CYP1A1
SCHEMBL29326196 0.78 CYP1A1 (0.44) CYP1A1CYP1B1HCAR1KDM4EGAA
SCHEMBL29326162 0.77 CYP1A1 (0.53) CYP1A1CYP1B1KDM4EGAATP53
SCHEMBL29326395 0.75 TDP1 (0.43) MAPK13MAPK12MAPK11MAPK14CYP1A1
SCHEMBL29326382 0.75 TDP1 (0.43) MAPK13MAPK12MAPK11MAPK14CYP1A1
SCHEMBL29326183 0.74 ERCC5 (0.43) CYP1A1CYP1B1HCAR1KDM4EGAA
SCHEMBL29326238 0.73 CYP1A1 (0.48) CYP1A1CYP1B1KDM4EGAATP53
SCHEMBL29326391 0.72 KDM4E (0.45) CYP1A1CYP1B1HCAR1KDM4EGAA
SCHEMBL29326380 0.72 KDM4E (0.40) CYP1A1CYP1B1HCAR1KDM4ETP53

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.