Sugi Predict

Sugi Predict / Compounds / SCHEMBL18129682

SCHEMBL18129682

SCHEMBL18129682

COc1ccc(-c2cnc3[nH]cc(C4=CN(C(=O)OC(C)(C)C)CCC4)c3c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 10/20 0.57
▸ DYRK1A Q13627 2/20 0.57
▸ SLC2A1 P11166 1/20 0.55
▸ AAK1 Q2M2I8 3/20 0.53
▸ PIK3CA P42336 1/20 0.52
▸ STK17B O94768 1/20 0.52
▸ MAP4K1 Q92918 5/20 0.51
▸ IL2 P60568 4/20 0.51

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
SCHEMBL18129691 0.89 KIT (0.61) KITDYRK1ASLC2A1AAK1MAP4K1
SCHEMBL18129807 0.87 KIT (0.54) KITDYRK1ASLC2A1AAK1STK17B
SCHEMBL12836724 0.86 SGK1 (0.46) KITDYRK1A
SCHEMBL18129798 0.85 KIT (0.55) KITDYRK1ASLC2A1AAK1STK17B
SCHEMBL18129602 0.84 KIT (0.54) KITDYRK1ASLC2A1AAK1STK17B
SCHEMBL16151321 0.82 BTK (0.45) KITPIK3CA
SCHEMBL18129527 0.79 KIT (0.59) KITDYRK1ASLC2A1AAK1MAP4K1
SCHEMBL3065669 0.78 BTK (0.44) DYRK1A
SCHEMBL18129589 0.77 AAK1 (0.56) KITDYRK1ASLC2A1AAK1PIK3CA
SCHEMBL18129658 0.76 AAK1 (0.56) KITDYRK1AAAK1PIK3CASTK17B

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 KIT 869/4885DYRK1A 1134/4885SLC2A1 4848/4885
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 1148/4885SLC2A1 4840/4885

“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.