SCHEMBL18129798

SCHEMBL18129798

COc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.55
DYRK1A Q13627 2/20 0.55
MAP4K1 Q92918 5/20 0.52
AAK1 Q2M2I8 3/20 0.52
SLC2A1 P11166 1/20 0.51
IL2 P60568 4/20 0.49
JAK1 P23458 1/20 0.49
STK17B O94768 1/20 0.49

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
SCHEMBL18129807 0.96 KIT (0.54) KITDYRK1AMAP4K1AAK1SLC2A1
SCHEMBL18129602 0.93 KIT (0.54) KITDYRK1AMAP4K1AAK1SLC2A1
SCHEMBL18129755 0.89 GABRP (0.49) DYRK1AJAK1
SCHEMBL18129805 0.89 KIT (0.60) KITDYRK1AMAP4K1AAK1SLC2A1
SCHEMBL18129476 0.88 KIT (0.55) KITDYRK1AMAP4K1AAK1SLC2A1
SCHEMBL18129818 0.88 GRM5 (0.49) JAK1
SCHEMBL18129726 0.87 SGK1 (0.55) JAK1
SCHEMBL18129789 0.86 SGK1 (0.53) JAK1
SCHEMBL18129459 0.86 AAK1 (0.53) KITDYRK1AMAP4K1AAK1SLC2A1
SCHEMBL18129547 0.86 MAP4K1 (0.51) MAP4K1JAK1STK17B

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 KIT 869/4885DYRK1A 1134/4885MAP4K1 766/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 KIT 1122/4885DYRK1A 1148/4885MAP4K1 858/4885

“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.