SCHEMBL29326680

SCHEMBL29326680

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.39
JAK2 O60674 7/20 0.39
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.36
KCNMA1 Q12791 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
SIRT2 Q8IXJ6 3/20 0.36
SIRT1 Q96EB6 3/20 0.36
SIRT3 Q9NTG7 3/20 0.36
PTGES O14684 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHEK2 O96017 1/20 0.35
NPEPPS P55786 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
SCHEMBL27379346 0.94 JAK2 (0.37) BTKJAK2KDM4EHTTTP53
SCHEMBL29326585 0.90 BTK (0.41) BTKJAK2KDM4EHTTTP53
SCHEMBL27379785 0.88 JAK2 (0.37) BTKJAK2KDM4EHTTTP53
SCHEMBL31509724 0.88 CHEK2 (0.39) BTKJAK2KDM4EHTTTP53
SCHEMBL27191902 0.88 CHEK2 (0.39) BTKJAK2KDM4EHTTTP53
SCHEMBL29326720 0.87 PTGES (0.39) BTKJAK2KDM4EHTTTP53
SCHEMBL29326749 0.87 PTGES (0.41) BTKJAK2KDM4EHTTTP53
SCHEMBL29326689 0.87 PTGES (0.48) KDM4EHTTITGA4ITGB7PTGES
SCHEMBL29326753 0.85 BTK (0.43) BTKJAK2KDM4EHTT
SCHEMBL29326721 0.85 PKM (0.41) KDM4EHTTITGA4ITGB7PTGES

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.