SCHEMBL18129685

SCHEMBL18129685

O=C(O)N1CC=C(c2c[nH]c3ncc(-c4ccc(N5CCCCC5)cc4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.48
IL2 P60568 3/20 0.45
BTK Q06187 5/20 0.44
AXL P30530 4/20 0.44
SGK1 O00141 3/20 0.44
CAMKK2 Q96RR4 2/20 0.44
MAP3K11 Q16584 1/20 0.42
DYRK1A Q13627 2/20 0.42
CLK1 P49759 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CHEK1 O14757 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 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
SCHEMBL18129713 0.92 MAP4K1 (0.55) MAP4K1IL2BTKAXLSGK1
SCHEMBL18129646 0.87 GABRP (0.51) MAP4K1IL2BTKSGK1MAPK1
SCHEMBL18129686 0.85 SGK1 (0.61) BTKAXLSGK1CAMKK2MAP3K11
SCHEMBL18129516 0.84 BTK (0.51) BTKAXLSGK1CAMKK2MAP3K11
SCHEMBL18129767 0.83 DYRK1A (0.56) MAP4K1BTKAXLSGK1CAMKK2
SCHEMBL18129706 0.83 CAMKK2 (0.50) MAP4K1BTKAXLSGK1CAMKK2
SCHEMBL18129705 0.83 CLK1 (0.60) BTKSGK1MAP3K11DYRK1ACLK1
SCHEMBL18129616 0.83 SGK1 (0.63) BTKAXLSGK1CAMKK2MAP3K11
SCHEMBL18129524 0.83 BTK (0.44) MAP4K1BTKAXLSGK1CAMKK2
SCHEMBL18129590 0.83 NTRK1 (0.54) MAP4K1IL2BTKAXLSGK1

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 766/4885IL2 1063/4885BTK 100/4885
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 858/4885IL2 1125/4885BTK 114/4885

“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.