SCHEMBL18129587

SCHEMBL18129587

O=C(O)N1CC=C(c2c[nH]c3ncc(-c4ccc(N5CCOCC5)nc4)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.56
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
TDO2 P48775 1/20 0.47
NTRK1 P04629 2/20 0.46
IL2 P60568 3/20 0.45
MAP3K11 Q16584 1/20 0.45
BTK Q06187 5/20 0.43
KIT P10721 1/20 0.43
JAK3 P52333 2/20 0.41
CNR2 P34972 2/20 0.40
CYP11B2 P19099 1/20 0.40
CHEK1 O14757 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKCG P05129 1/20 0.40

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
SCHEMBL18129713 0.91 MAP4K1 (0.55) MAP4K1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18129633 0.88 MAP4K1 (0.55) MAP4K1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18129590 0.86 NTRK1 (0.54) MAP4K1NTRK1IL2MAP3K11BTK
SCHEMBL18129463 0.84 MAP4K1 (0.58) MAP4K1MAP3K11CDK2FLT3
SCHEMBL18129775 0.84 MAP4K1 (0.48) MAP4K1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18129685 0.83 MAP4K1 (0.48) MAP4K1IL2MAP3K11BTKJAK3
SCHEMBL18129629 0.83 PLK4 (0.55) NTRK1MAP3K11BTKKITJAK3
SCHEMBL18129772 0.82 MAP4K1 (0.47) MAP4K1NTRK1MAP3K11BTKJAK3
SCHEMBL18129741 0.81 MAP3K11 (0.50) MAP4K1MAP3K11BTKKITCHEK1
SCHEMBL18129686 0.81 SGK1 (0.61) MAP3K11BTKAXLDYRK1A

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 766/4885PIK3CD 151/4885PIK3CA 189/4885
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 858/4885PIK3CD 138/4885PIK3CA 204/4885

“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.