SCHEMBL18129786

SCHEMBL18129786

O=C(c1cccs1)N1CC=C(c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C5CC5)cc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
CDK8 P49336 2/20 0.43
DYRK1A Q13627 2/20 0.43
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
CLK2 P49760 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
PRKX P51817 1/20 0.43
CDK5 Q00535 1/20 0.43
MAP2K1 Q02750 1/20 0.43
ACVR1 Q04771 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
SCHEMBL18129671 0.90 L3MBTL1 (0.48) L3MBTL1CDK8DYRK1ACHEK1DAPK3
SCHEMBL18129722 0.90 DYRK1A (0.51) L3MBTL1CDK8DYRK1ACHEK1DAPK3
SCHEMBL18129648 0.89 L3MBTL1 (0.46) L3MBTL1CDK8DYRK1ACHEK1DAPK3
SCHEMBL18129752 0.87 ALDH1A1 (0.46) L3MBTL1CDK8DYRK1ACHEK1DAPK3
SCHEMBL18129524 0.86 BTK (0.44) DYRK1ACHEK1MAP4K4PIM1PRKACA
SCHEMBL18129546 0.84 NTRK1 (0.51) L3MBTL1CDK8DYRK1ACHEK1DAPK3
SCHEMBL18129637 0.84 CAMKK2 (0.53) L3MBTL1CDK8DYRK1ACHEK1DAPK3
SCHEMBL18129514 0.84 L3MBTL1 (0.48) L3MBTL1CDK8DYRK1ACHEK1DAPK3
SCHEMBL18129492 0.83 L3MBTL1 (0.49) L3MBTL1CDK8DYRK1ACHEK1DAPK3
SCHEMBL18129763 0.83 L3MBTL1 (0.47) L3MBTL1CDK8DYRK1ACHEK1DAPK3

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 L3MBTL1 568/4885CDK8 75/4885DYRK1A 1134/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 L3MBTL1 502/4885CDK8 77/4885DYRK1A 1148/4885

“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.