SCHEMBL29326355

SCHEMBL29326355

NC(=O)c1ccccc1-c1cnc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
BTK Q06187 6/20 0.39
CDC7 O00311 1/20 0.39
PIM1 P11309 1/20 0.37
HSP90AA1 P07900 2/20 0.37
KCNMA1 Q12791 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37

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
SCHEMBL27378023 0.91 PIM1 (0.38) PARP1AURKARPS6KB1BTKCDC7
SCHEMBL29326232 0.84 KDM4E (0.43) HSP90AA1ITGA4ITGB7
SCHEMBL29326338 0.84 BTK (0.42) AURKARPS6KB1BTKKCNMA1ITGA4
SCHEMBL29326278 0.84 AURKA (0.40) AURKAITGA4ITGB7
SCHEMBL29326228 0.82 PLK4 (0.41) PARP1PIM1KCNMA1ITGA4ITGB7
SCHEMBL29326351 0.82 MCL1 (0.39) PIM1ITGA4ITGB7
SCHEMBL27192156 0.77 FEN1 (0.39) AURKARPS6KB1BTKKCNMA1
SCHEMBL29326345 0.77 BTK (0.43) PARP1BTKITGA4ITGB7
SCHEMBL29326170 0.77 ERCC5 (0.42) AURKARPS6KB1BTKITGA4ITGB7
SCHEMBL27377611 0.74 KDM4E (0.42) HSP90AA1

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 PARP1 1376/4885AURKA 3698/4885RPS6KB1 2815/4885

“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.