SCHEMBL30009027

SCHEMBL30009027

O=S(=O)(CCCF)N1CCN(c2ccnc3[nH]ccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.50
GSK3B P49841 2/20 0.46
ALDH1A1 P00352 1/20 0.45
NUDT1 P36639 2/20 0.45
PBK Q96KB5 2/20 0.44
AKT1 P31749 2/20 0.44
ATR Q13535 7/20 0.42
ATRIP Q8WXE1 6/20 0.42
CHEK1 O14757 1/20 0.41
PIK3CA P42336 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL30009053 0.79 ATR (0.59) AKT2NUDT1PBKATRATRIP
SCHEMBL30008973 0.76 AKT2 (0.54) AKT2GSK3BALDH1A1NUDT1PBK
SCHEMBL30009365 0.75 AKT2 (0.53) AKT2GSK3BALDH1A1NUDT1PBK
SCHEMBL30356228 0.75 JAK1 (0.67) JAK1
SCHEMBL20918106 0.75 JAK1 (0.67) JAK1
SCHEMBL12605440 0.73 AKT2 (0.70) AKT2GSK3BNUDT1PBK
SCHEMBL18440877 0.72 AKT2 (0.65) AKT2GSK3BNUDT1PBKAKT1
SCHEMBL12605530 0.72 AKT2 (0.68) AKT2GSK3BNUDT1PBK
SCHEMBL2799562 0.70 AKT2 (0.67) AKT2GSK3BNUDT1PBK
SCHEMBL12696677 0.70 ALDH1A1 (0.43) AKT2ALDH1A1AKT1ATRATRIP

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 AKT2 208/4885GSK3B 550/4885ALDH1A1 4182/4885

“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.