SCHEMBL5457726

SCHEMBL5457726

CNC(CC#N)C1CCN(c2cc3c(cc2F)c(=O)[nH]c(=O)n3C2CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRKD3 O94806 1/20 0.32
PIM1 P11309 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
IRAK1 P51617 1/20 0.32
RPS6KA3 P51812 1/20 0.32
DYRK1A Q13627 1/20 0.32
PIM3 Q86V86 1/20 0.32
CSNK1G3 Q9Y6M4 1/20 0.32
PGR P06401 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL5473275 0.86 KCNH2 (0.35) KCNH2KDM4EALDH1A1LMNAMAPT
SCHEMBL5455612 0.84 TOP1 (0.41) KCNH2KDM4EALDH1A1LMNAMAPT
SCHEMBL5472928 0.83 EEF2K (0.38) KCNH2LMNAJAK2JAK1TYK2
SCHEMBL5457689 0.83 KCNH2 (0.45) KCNH2
SCHEMBL5455435 0.81 KCNH2 (0.43) KCNH2KDM4EALDH1A1LMNAHPGD
SCHEMBL5469137 0.80 JAK2 (0.37) KCNH2KDM4EALDH1A1MAPTHPGD
SCHEMBL5466639 0.78 KCNH2 (0.41) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5459698 0.78 KCNH2 (0.32) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL14444388 0.75 KDM4E (0.35) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5465181 0.75 KDM4E (0.35) KCNH2KDM4EALDH1A1HPGDHSD17B10

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 7 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
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP claimed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO 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 2633/4885KDM4E 4500/4885ALDH1A1 637/4885

“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.