SCHEMBL29326753

SCHEMBL29326753

CC(C)(O)c1cncc(-c2cccc(Cl)c2-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.43
JAK2 O60674 14/20 0.43
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 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
SCHEMBL27379517 0.94 BTK (0.41) BTKJAK2KDM4EHTTTNKS
SCHEMBL29326746 0.90 PTGES (0.38) BTKJAK2KDM4EHTTTNKS
SCHEMBL29326720 0.88 PTGES (0.39) BTKJAK2KDM4EHTTTNKS2
SCHEMBL29326749 0.86 PTGES (0.41) BTKJAK2KDM4EHTT
SCHEMBL29326689 0.86 PTGES (0.48) KDM4EHTT
SCHEMBL29326721 0.85 PKM (0.41) KDM4EHTT
SCHEMBL29326680 0.85 BTK (0.39) BTKJAK2KDM4EHTT
SCHEMBL27379508 0.85 PTGES (0.38) BTKJAK2KDM4EHTT
SCHEMBL29326735 0.85 KDM4E (0.37) KDM4EHTTTNKS2
SCHEMBL29326451 0.83 KDM4E (0.45) KDM4EHTTTNKS2

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 1797/4885KDM4E 3744/4885

“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.