Sugi Predict

Sugi Predict / Compounds / SCHEMBL18129658

SCHEMBL18129658

SCHEMBL18129658

COc1ccc(-c2cnc3[nH]cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 9/20 0.56
▸ STK17B O94768 1/20 0.55
▸ PIK3CD O00329 2/20 0.52
▸ PIK3CA P42336 2/20 0.52
▸ PIK3CB P42338 2/20 0.52
▸ PIK3CG P48736 2/20 0.52
▸ JAK2 O60674 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ MAP4K1 Q92918 3/20 0.48
▸ IL2 P60568 2/20 0.48
▸ KIT P10721 2/20 0.48
▸ DYRK1A Q13627 2/20 0.48
▸ CAMKK2 Q96RR4 1/20 0.45
▸ HPGDS O60760 1/20 0.45

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
SCHEMBL18129589 0.91 AAK1 (0.56) AAK1STK17BPIK3CDPIK3CAPIK3CB
SCHEMBL18129787 0.89 AAK1 (0.58) AAK1STK17BMAP4K1IL2KIT
SCHEMBL12836717 0.86 HPGDS (0.49) JAK2JAK1CAMKK2HPGDS
SCHEMBL18129618 0.81 AAK1 (0.55) AAK1STK17BMAP4K1IL2KIT
SCHEMBL18129807 0.79 KIT (0.54) AAK1STK17BMAP4K1IL2KIT
SCHEMBL18129711 0.79 AAK1 (0.56) AAK1STK17BMAP4K1IL2KIT
SCHEMBL2010568 0.78 HSD11B1 (0.62) JAK2JAK1HPGDS
SCHEMBL18129798 0.77 KIT (0.55) AAK1STK17BJAK1MAP4K1IL2
SCHEMBL18129682 0.76 KIT (0.57) AAK1STK17BPIK3CAMAP4K1IL2
SCHEMBL18129602 0.76 KIT (0.54) AAK1STK17BMAP4K1IL2KIT

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 5 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-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 221/4885PIK3CD 151/4885
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 222/4885PIK3CD 138/4885

“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.