SCHEMBL17323930

SCHEMBL17323930

CC(C)(C)OC(=O)N1CCCC(COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
SCN9A Q15858 1/20 0.46
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CHEK2 O96017 1/20 0.41
FEN1 P39748 2/20 0.40
ALOX5AP P20292 1/20 0.40
KDM1A O60341 1/20 0.39
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39
BCHE P06276 2/20 0.38
HTR6 P50406 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
ACKR3 P25106 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL18339778 0.95 USP30 (0.51) USP30SCN9AFEN1ALOX5APTBK1
SCHEMBL18340579 0.91 USP30 (0.45) USP30TBK1GPR119AAK1
SCHEMBL14771892 0.90 USP30 (0.48) USP30SCN9ATBK1GPR119AAK1
SCHEMBL18340355 0.86 USP30 (0.47) USP30MEN1ALDH1A1MAPTKMT2A
SCHEMBL16491266 0.85 USP30 (0.41) USP30FEN1ALOX5APKDM1AGPR119
SCHEMBL15639130 0.83 USP30 (0.48) USP30SCN9ACHEK2FEN1ALOX5AP
SCHEMBL17289635 0.83 TBK1 (0.51) USP30TBK1GPR119PDE4B
SCHEMBL17289843 0.83 TBK1 (0.51) USP30TBK1GPR119PDE4B
SCHEMBL17289633 0.83 TBK1 (0.51) USP30TBK1GPR119PDE4B
SCHEMBL14765222 0.81 AAK1 (0.39) USP30TBK1GPR119AAK1PDE4B

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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK USP30 2199/4885SCN9A 3474/4885MEN1 4367/4885

“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.