SCHEMBL18129459

SCHEMBL18129459

COc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC5CCCC5)CC4)c3c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.53
STK17B O94768 1/20 0.53
KIT P10721 8/20 0.52
DYRK1A Q13627 2/20 0.52
MAP4K1 Q92918 6/20 0.50
IL2 P60568 5/20 0.50
SLC2A1 P11166 1/20 0.49
MAP3K11 Q16584 1/20 0.47

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
SCHEMBL18129719 0.93 KIT (0.48) AAK1STK17BKITDYRK1AMAP4K1
SCHEMBL18129496 0.87 CCNT1 (0.56) AAK1STK17BKITDYRK1AMAP4K1
SCHEMBL18129549 0.87 POLB (0.48) AAK1STK17BKITMAP4K1IL2
SCHEMBL18129805 0.87 KIT (0.60) AAK1KITDYRK1AMAP4K1IL2
SCHEMBL18129747 0.87 MAP4K1 (0.55) AAK1STK17BKITDYRK1AMAP4K1
SCHEMBL18129476 0.86 KIT (0.55) AAK1KITDYRK1AMAP4K1IL2
SCHEMBL18129798 0.86 KIT (0.55) AAK1STK17BKITDYRK1AMAP4K1
SCHEMBL18129552 0.86 BTK (0.44) DYRK1AMAP4K1MAP3K11
SCHEMBL18129508 0.85 DYRK1A (0.55) AAK1KITDYRK1AMAP4K1IL2
SCHEMBL18129641 0.84 BTK (0.43) DYRK1AMAP4K1MAP3K11

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 AAK1 263/4885STK17B 221/4885KIT 869/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 AAK1 288/4885STK17B 222/4885KIT 1122/4885

“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.