SCHEMBL29326585

SCHEMBL29326585

NC(=O)c1ccc(-c2cccc(Cl)c2-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.41
JAK2 O60674 8/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
CHEK2 O96017 1/20 0.40
NPEPPS P55786 1/20 0.38
KCNMA1 Q12791 1/20 0.37
GAA P10253 3/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
PTGES O14684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL27191902 0.91 CHEK2 (0.39) BTKJAK2TP53KDM4EHTT
SCHEMBL31509724 0.91 CHEK2 (0.39) BTKJAK2TP53KDM4EHTT
SCHEMBL29326680 0.90 BTK (0.39) BTKJAK2TP53KDM4EHTT
SCHEMBL29326451 0.90 KDM4E (0.45) TP53KDM4EHTTNPEPPSGAA
SCHEMBL29326437 0.86 KDM4E (0.50) TP53KDM4EHTTNPEPPSGAA
SCHEMBL27379785 0.84 JAK2 (0.37) BTKJAK2TP53KDM4EHTT
SCHEMBL27379346 0.84 JAK2 (0.37) BTKJAK2TP53KDM4EHTT
SCHEMBL29326448 0.84 ITGA4 (0.42) BTKJAK2TP53KDM4EHTT
SCHEMBL29326689 0.84 PTGES (0.48) KDM4EHTTNPEPPSGAAITGA4
SCHEMBL29326691 0.84 CECR2 (0.41) BTKJAK2TP53KDM4EHTT

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 1797/4885TP53 1119/4885

“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.