SCHEMBL4872042

SCHEMBL4872042

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N(C)C4CCN(C)CC4)ccc3n2)s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
P2RY12 Q9H244 2/20 0.32
TP53 P04637 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL4875355 0.99 KCNH2 (0.38) KCNH2HRH3GSK3BDYRK1ALMNA
SCHEMBL4878151 0.91 KCNH2 (0.38) KCNH2HRH3
SCHEMBL4872064 0.89 KCNH2 (0.37) KCNH2HRH3GSK3BDYRK1ALMNA
SCHEMBL4866846 0.89 KCNH2 (0.37) KCNH2HRH3GSK3BDYRK1ALMNA
SCHEMBL4877241 0.88 KCNH2 (0.38) KCNH2HRH3BACE1
SCHEMBL4876033 0.88 KCNH2 (0.40) KCNH2HRH3
SCHEMBL4876338 0.86 KCNH2 (0.39) KCNH2HRH3TP53
SCHEMBL4874030 0.86 KCNH2 (0.39) KCNH2HRH3TLR9TLR8TLR7
SCHEMBL4876216 0.86 KCNH2 (0.39) KCNH2HRH3TLR9TLR8TLR7
SCHEMBL4874551 0.86 KCNH2 (0.36) KCNH2HRH3TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 KCNH2 2647/4885HRH3 4258/4885GSK3B 2798/4885

“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.