SCHEMBL18129772

SCHEMBL18129772

O=C(O)N1CC=C(c2c[nH]c3ncc(-c4cccc(CN5CCOCC5)c4)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.47
BTK Q06187 5/20 0.47
PLCG1 P19174 1/20 0.47
GSK3B P49841 2/20 0.46
TNIK Q9UKE5 6/20 0.45
MAP3K11 Q16584 2/20 0.44
MAP3K9 P80192 1/20 0.44
AXL P30530 2/20 0.43
PLK4 O00444 2/20 0.43
NTRK1 P04629 2/20 0.43
CDC7 O00311 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
PAK4 O96013 1/20 0.42

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
SCHEMBL18129463 0.91 MAP4K1 (0.58) MAP4K1TNIKMAP3K11MAP3K9ABL1
SCHEMBL18129778 0.89 GSK3B (0.48) MAP4K1BTKPLCG1GSK3BTNIK
SCHEMBL18129739 0.89 MAP4K1 (0.47) MAP4K1BTKPLCG1TNIKMAP3K11
SCHEMBL18129629 0.86 PLK4 (0.55) BTKGSK3BTNIKMAP3K11AXL
SCHEMBL18129652 0.85 IKBKE (0.43) MAP4K1BTKPLCG1GSK3BMAP3K11
SCHEMBL18129806 0.85 TBK1 (0.45) MAP4K1BTKGSK3BNTRK1CHEK1
SCHEMBL18129732 0.83 CAMKK2 (0.46) BTKPLCG1GSK3BMAP3K11AXL
SCHEMBL18129587 0.82 MAP4K1 (0.56) MAP4K1BTKGSK3BMAP3K11AXL
SCHEMBL18129713 0.82 MAP4K1 (0.55) MAP4K1BTKMAP3K11AXLNTRK1
SCHEMBL18129590 0.81 NTRK1 (0.54) MAP4K1BTKTNIKMAP3K11AXL

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 2 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 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 MAP4K1 766/4885BTK 100/4885PLCG1 1470/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 MAP4K1 858/4885BTK 114/4885PLCG1 1465/4885

“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.