SCHEMBL18129486

SCHEMBL18129486

CS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(C4=CCN(C(=O)c5cccs5)CC4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 9/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
PIK3CA P42336 1/20 0.46
BTK Q06187 3/20 0.43
NTRK1 P04629 2/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
CLK1 P49759 1/20 0.43
DYRK2 Q92630 1/20 0.43
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 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
SCHEMBL18129637 0.89 CAMKK2 (0.53) TNIKL3MBTL1BTKDYRK1ADYRK1B
SCHEMBL18129763 0.87 L3MBTL1 (0.47) TNIKL3MBTL1BTKDYRK1ADYRK1B
SCHEMBL18129659 0.87 L3MBTL1 (0.47) TNIKL3MBTL1BTKDYRK1ADYRK1B
SCHEMBL18129514 0.86 L3MBTL1 (0.48) TNIKL3MBTL1BTKNTRK1DYRK1A
SCHEMBL18129671 0.86 L3MBTL1 (0.48) TNIKL3MBTL1BTKDYRK1ADYRK1B
SCHEMBL18129648 0.83 L3MBTL1 (0.46) TNIKL3MBTL1BTKDYRK1ADYRK1B
SCHEMBL18129722 0.83 DYRK1A (0.51) TNIKL3MBTL1BTKNTRK1DYRK1A
SCHEMBL18129492 0.83 L3MBTL1 (0.49) L3MBTL1BTKNTRK1DYRK1ADYRK1B
SCHEMBL18129612 0.83 NTRK1 (0.50) TNIKL3MBTL1NTRK1DYRK1ADYRK1B
SCHEMBL18129539 0.83 L3MBTL1 (0.45) L3MBTL1PIK3CANTRK1DYRK1ADYRK1B

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 TNIK 14/4885L3MBTL1 568/4885PIK3CA 189/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 TNIK 16/4885L3MBTL1 502/4885PIK3CA 204/4885

“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.