SCHEMBL29326170

SCHEMBL29326170

NC(=O)c1ccccc1-c1cc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
BTK Q06187 13/20 0.39
JAK2 O60674 9/20 0.38
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 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
SCHEMBL27377349 0.89 FEN1 (0.38) ERCC5FEN1BTKJAK2AURKA
SCHEMBL29326188 0.83 CYP1A1 (0.53) ERCC5FEN1BTKJAK2ITGA4
SCHEMBL29326162 0.83 CYP1A1 (0.53) ERCC5FEN1BTKJAK2ITGA4
SCHEMBL29326183 0.83 ERCC5 (0.43) ERCC5FEN1AURKAITGA4ITGB7
SCHEMBL29326166 0.82 ERCC5 (0.60) ERCC5FEN1ALDH1A1LMNACYP1A2
SCHEMBL29326338 0.82 BTK (0.42) FEN1BTKJAK2AURKARPS6KB1
SCHEMBL29326179 0.81 ERCC5 (0.41) ERCC5FEN1ITGA4ITGB7ALDH1A1
SCHEMBL29326196 0.80 CYP1A1 (0.44) ERCC5FEN1BTKJAK2ITGA4
SCHEMBL29326194 0.80 ERCC5 (0.40) ERCC5FEN1BTKJAK2AURKA
SCHEMBL29326345 0.80 BTK (0.43) BTKJAK2ITGA4ITGB7NPEPPS

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 ERCC5 2042/4885FEN1 1012/4885BTK 2121/4885

“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.