SCHEMBL18129752

SCHEMBL18129752

O=C(c1cccs1)N1CC=C(c2c[nH]c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAP4K1 Q92918 1/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHEK1 O14757 1/20 0.43
DAPK3 O43293 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
KDR P35968 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAPK8 P45983 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43
CLK2 P49760 1/20 0.43

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
SCHEMBL18129539 0.93 L3MBTL1 (0.45) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL18129546 0.88 NTRK1 (0.51) L3MBTL1CHEK1DAPK3MAP4K4PIM1
SCHEMBL18129722 0.88 DYRK1A (0.51) MAP4K1L3MBTL1CHEK1DAPK3MAP4K4
SCHEMBL18129671 0.88 L3MBTL1 (0.48) MAP4K1L3MBTL1CHEK1DAPK3MAP4K4
SCHEMBL18129526 0.88 POLB (0.52) ALDH1A1LMNASMN1; SMN2MAP4K1L3MBTL1
SCHEMBL18129786 0.87 L3MBTL1 (0.46) MAP4K1L3MBTL1CHEK1DAPK3MAP4K4
SCHEMBL18129775 0.87 MAP4K1 (0.48) MAP4K1MEN1KMT2ADYRK1ANTRK1
SCHEMBL18129648 0.87 L3MBTL1 (0.46) MAP4K1L3MBTL1CHEK1DAPK3MAP4K4
SCHEMBL18129612 0.84 NTRK1 (0.50) L3MBTL1CHEK1DAPK3MAP4K4PIM1
SCHEMBL18129525 0.83 GSK3B (0.47) MAP4K1L3MBTL1CHEK1DAPK3MAP4K4

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 6 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 claimed
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 claimed
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-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
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 ALDH1A1 4103/4885LMNA 2773/4885HTT 2891/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 ALDH1A1 4103/4885LMNA 2661/4885HTT 2679/4885

“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.