SCHEMBL18129652

SCHEMBL18129652

O=C(O)N1CC=C(c2c[nH]c3ncc(-c4csc(CN5CCOCC5)c4)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 2/20 0.43
TBK1 Q9UHD2 2/20 0.43
GSK3B P49841 3/20 0.43
PLCG1 P19174 1/20 0.42
MAP4K1 Q92918 1/20 0.42
CHEK1 O14757 2/20 0.42
MAP4K4 O95819 2/20 0.42
PIM1 P11309 2/20 0.42
PRKACA P17612 2/20 0.42
CLK2 P49760 2/20 0.42
CDK5 Q00535 2/20 0.42
PRKAA1 Q13131 2/20 0.42
ROCK1 Q13464 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CDK9 P50750 2/20 0.42
DAPK3 O43293 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
MAPK8 P45983 1/20 0.42

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
SCHEMBL18129657 0.88 CDK9 (0.42) IKBKETBK1GSK3BPLCG1MAP4K1
SCHEMBL18129525 0.88 GSK3B (0.47) IKBKETBK1GSK3BPLCG1MAP4K1
SCHEMBL18129734 0.87 MAP4K1 (0.40) IKBKETBK1GSK3BPLCG1MAP4K1
SCHEMBL18129806 0.87 TBK1 (0.45) IKBKETBK1GSK3BMAP4K1CHEK1
SCHEMBL18129463 0.87 MAP4K1 (0.58) MAP4K1CDK2FLT3MAP3K11
SCHEMBL18129772 0.85 MAP4K1 (0.47) GSK3BPLCG1MAP4K1CHEK1PIM1
SCHEMBL18129713 0.81 MAP4K1 (0.55) MAP4K1CHEK1DYRK1ANTRK1BTK
SCHEMBL18129590 0.80 NTRK1 (0.54) MAP4K1MAP4K4CLK2ROCK1CLK4
SCHEMBL18129587 0.80 MAP4K1 (0.56) GSK3BMAP4K1CHEK1MAP4K4PIM1
SCHEMBL18129504 0.80 TBK1 (0.45) IKBKETBK1GSK3BMAP4K1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 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 (2 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-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TANK, NFKBIA, TBK1 IKBKE 6/4885TBK1 3/4885GSK3B 450/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 IKBKE 6/4885TBK1 3/4885GSK3B 401/4885

“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.