SCHEMBL29326338

SCHEMBL29326338

NC(=O)c1ccccc1-c1ccc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.42
NPEPPS P55786 1/20 0.41
JAK2 O60674 8/20 0.41
FEN1 P39748 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
KCNMA1 Q12791 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27192156 0.88 FEN1 (0.39) BTKNPEPPSJAK2FEN1CHEK1
SCHEMBL29326224 0.87 NPEPPS (0.48) NPEPPSFEN1ITGA4ITGB7TDP1
SCHEMBL29326355 0.84 PARP1 (0.42) BTKAURKARPS6KB1KCNMA1ITGA4
SCHEMBL29326345 0.84 BTK (0.43) BTKNPEPPSJAK2CHEK1ITGA4
SCHEMBL29326360 0.84 HSD17B10 (0.45) BTKNPEPPSJAK2AURKARPS6KB1
SCHEMBL29326236 0.83 NPEPPS (0.44) NPEPPSFEN1ITGA4ITGB7TDP1
SCHEMBL29326363 0.83 TNKS2 (0.50) NPEPPSFEN1ITGA4ITGB7TDP1
SCHEMBL29326170 0.82 ERCC5 (0.42) BTKNPEPPSJAK2FEN1AURKA
SCHEMBL29326223 0.81 FEN1 (0.58) NPEPPSFEN1KCNMA1TDP1KDM4E
SCHEMBL29326366 0.81 KDM4E (0.47) NPEPPSFEN1ITGA4ITGB7TDP1

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 BTK 2121/4885NPEPPS 168/4885JAK2 1797/4885

“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.