SCHEMBL30177911

SCHEMBL30177911

CN(C)CC1CN(C(=O)N2CCN(C=O)CC2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 6/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.35
SCN9A Q15858 1/20 0.34
RECQL P46063 1/20 0.33
SLC8A1 P32418 1/20 0.33
TFPI2 P48307 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C3 P42330 1/20 0.32

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
SCHEMBL23182188 0.78 PDK1 (0.45) PDK1SCN9ASLC8A1
SCHEMBL28506422 0.78 PDK1 (0.45) PDK1SCN9ASLC8A1
SCHEMBL18125939 0.78 PDK1 (0.45) PDK1SCN9ASLC8A1
SCHEMBL3937696 0.77 PDK1 (0.44) PDK1SCN9ASLC8A1
SCHEMBL23700663 0.71 USP2 (0.49) PDK1MAPTSCN9ARECQLMEN1
SCHEMBL23700662 0.71 USP2 (0.49) PDK1MAPTSCN9ARECQLMEN1
SCHEMBL28132263 0.69 PDK1 (0.62) PDK1SCN9AMEN1TP53KMT2A
SCHEMBL28133029 0.69 PDK1 (0.62) PDK1SCN9AMEN1TP53KMT2A
SCHEMBL27785370 0.69 PDK1 (0.62) PDK1SCN9AMEN1TP53KMT2A
SCHEMBL13632338 0.69 KMT2A (0.65) MAPTPOLBRECQLMEN1TP53

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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 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 (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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PDK1 1689/4885MAPT 3645/4885POLB 1929/4885

“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.