SCHEMBL5458084

SCHEMBL5458084

CC(=O)NCC(NCCC#N)C1CCN(c2ccc3c(=O)[nH]c(=O)n(C4CC4)c3c2C)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
JAK1 P23458 4/20 0.36
JAK2 O60674 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 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
SCHEMBL5455097 0.91 KCNH2 (0.39) KCNH2JAK1JAK2TYK2JAK3
SCHEMBL5460131 0.86 KCNH2 (0.53) KCNH2
SCHEMBL5460143 0.86 KCNH2 (0.38) KCNH2JAK1
SCHEMBL5470871 0.86 KCNH2 (0.47) KCNH2JAK1JAK2TYK2JAK3
SCHEMBL5472881 0.85 JAK1 (0.35) KCNH2JAK1JAK2TYK2JAK3
SCHEMBL5469343 0.85 JAK1 (0.35) KCNH2JAK1JAK2TYK2JAK3
SCHEMBL5457705 0.85 JAK2 (0.40) KCNH2JAK1JAK2TYK2JAK3
SCHEMBL5469137 0.82 JAK2 (0.37) KCNH2JAK1JAK2TYK2JAK3
SCHEMBL6529832 0.81 KCNH2 (0.59) KCNH2
SCHEMBL5450740 0.80 KCNH2 (0.45) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US claimed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL KCNH2 2633/4885JAK1 4791/4885JAK2 4764/4885

“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.