SCHEMBL4866906

SCHEMBL4866906

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)c(CN(C)C)c5n4CC(=O)N4CCOCC4)ccc3n2)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.38
HRH3 Q9Y5N1 5/20 0.38
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
TP53 P04637 1/20 0.30
GRIN2B Q13224 1/20 0.30
EGFR P00533 1/20 0.30
TYMS P04818 1/20 0.30
LTA4H P09960 1/20 0.30
VDR P11473 1/20 0.30
SRC P12931 1/20 0.30
MAPK1 P28482 1/20 0.30
CTSK P43235 1/20 0.30
SMO Q99835 1/20 0.30
PTGS2 P35354 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL4875039 0.90 KCNH2 (0.38) KCNH2HRH3BRD4CREBBP
SCHEMBL4875229 0.89 KCNH2 (0.36) KCNH2HRH3BRD4CREBBPPTGS2
SCHEMBL4866922 0.88 GRIN2B (0.36) KCNH2HRH3BRD4CREBBPTP53
SCHEMBL3931408 0.84 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPTP53
SCHEMBL4875180 0.83 KCNH2 (0.38) KCNH2HRH3BRD4CREBBPTP53
SCHEMBL5225066 0.83 KCNH2 (0.38) KCNH2HRH3BRD4CREBBPTP53
SCHEMBL4868436 0.82 KCNH2 (0.38) KCNH2HRH3
SCHEMBL5222056 0.82 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPTP53
SCHEMBL4879187 0.82 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPTP53
SCHEMBL5196593 0.81 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPGRIN2B

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 4258/4885BRD4 3577/4885

“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.