SCHEMBL5465822

SCHEMBL5465822

N#CCC(N)C1CCN(c2ccc3c(=O)[nH]c(=O)n(C4CC4)c3c2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
EEF2K O00418 1/20 0.33
TNKS O95271 3/20 0.32
PARP2 Q9UGN5 3/20 0.32
MAT2A P31153 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 2/20 0.31
ALK Q9UM73 2/20 0.31
PARP1 P09874 2/20 0.31
PGR P06401 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
DRD3 P35462 1/20 0.31
KHK P50053 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
SCHEMBL5459051 0.83 KCNH2 (0.32) KCNH2
SCHEMBL5473275 0.83 KCNH2 (0.35) JAK2JAK1TYK2JAK3EEF2K
SCHEMBL5450730 0.79 JAK2 (0.38) JAK2JAK1TYK2JAK3EEF2K
SCHEMBL5450719 0.77 KCNH2 (0.48) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5472853 0.77 EEF2K (0.42) JAK2JAK1TYK2JAK3EEF2K
SCHEMBL14443939 0.75 KCNH2 (0.49) KCNH2
SCHEMBL5450712 0.75 KCNH2 (0.49) KCNH2
SCHEMBL5460712 0.73 KCNH2 (0.49) KCNH2OPRM1
SCHEMBL5458063 0.72 KCNH2 (0.35) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL5454102 0.70 KCNH2 (0.38) JAK2JAK1TYK2JAK3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 JAK2 4764/4885JAK1 4791/4885TYK2 4814/4885

“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.