SCHEMBL30009218

SCHEMBL30009218

N#CC1(CC(=O)N2CCN(c3ccnc4[nH]ccc34)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.64
AKT1 P31749 2/20 0.50
AKT2 P31751 5/20 0.48
GSK3B P49841 1/20 0.45
PBK Q96KB5 2/20 0.44
CCR5 P51681 1/20 0.42
NUDT1 P36639 1/20 0.42
JAK3 P52333 3/20 0.41
PREP P48147 1/20 0.41
ALDH1A1 P00352 1/20 0.41
METTL3 Q86U44 1/20 0.39

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
SCHEMBL30009396 0.84 AKT1 (0.54) JAK1AKT1AKT2PBKJAK3
SCHEMBL30009292 0.82 AKT1 (0.52) JAK1AKT1AKT2GSK3BPBK
SCHEMBL10277501 0.82 AKT1 (0.50) JAK1AKT1AKT2GSK3BPBK
SCHEMBL20917836 0.78 JAK1 (1.00) JAK1
SCHEMBL30355957 0.78 JAK1 (1.00) JAK1
SCHEMBL16026477 0.77 AKT2 (0.59) AKT1AKT2GSK3BPBKNUDT1
SCHEMBL27879392 0.75 AKT1 (0.57) JAK1AKT1AKT2GSK3BPBK
SCHEMBL1076358 0.73 JAK3 (0.64) JAK1JAK3
SCHEMBL1078982 0.72 JAK3 (0.52) JAK3
SCHEMBL12696540 0.71 JAK1 (0.55) JAK1JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 JAK1 83/4885AKT1 102/4885AKT2 208/4885

“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.