SCHEMBL29326345

SCHEMBL29326345

NC(=O)c1ccccc1-c1cc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c2cc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.43
JAK2 O60674 12/20 0.43
PARP1 P09874 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CHEK1 O14757 1/20 0.38
WEE1 P30291 1/20 0.38
NPEPPS P55786 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
SCHEMBL27378018 0.89 ALOX5AP (0.38) BTKJAK2PARP1CHEK1WEE1
SCHEMBL29326338 0.84 BTK (0.42) BTKJAK2ITGA4ITGB7CHEK1
SCHEMBL29326248 0.83 KDM4E (0.45) BTKJAK2ITGA4ITGB7NPEPPS
SCHEMBL29326253 0.82 NPEPPS (0.42) ITGA4ITGB7NPEPPS
SCHEMBL29326342 0.82 NPEPPS (0.39) ITGA4ITGB7CHEK1WEE1NPEPPS
SCHEMBL29326170 0.80 ERCC5 (0.42) BTKJAK2ITGA4ITGB7NPEPPS
SCHEMBL29326355 0.77 PARP1 (0.42) BTKPARP1ITGA4ITGB7
SCHEMBL29326760 0.75 HSD17B10 (0.48) CHEK1WEE1
SCHEMBL27192156 0.73 FEN1 (0.39) BTKJAK2CHEK1NPEPPS
SCHEMBL27377720 0.72 KDM4E (0.42) BTKJAK2NPEPPS

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 2121/4885JAK2 1797/4885PARP1 1376/4885

“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.