SCHEMBL4013907

SCHEMBL4013907

CN(C(=O)O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.54
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD11B1 P28845 1/20 0.47
HPGD P15428 1/20 0.47
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
PRMT5 O14744 1/20 0.42
HPGDS O60760 1/20 0.42
EPHX1 P07099 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PREP P48147 1/20 0.40

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
SCHEMBL4014859 1.00 USP30 (0.54) USP30JAK2JAK1MEN1ALDH1A1
SCHEMBL4020310 1.00 USP30 (0.54) USP30JAK2JAK1MEN1ALDH1A1
SCHEMBL1624330 0.91 USP30 (0.62) USP30JAK2JAK1MEN1KMT2A
SCHEMBL4018727 0.91 USP30 (0.62) USP30JAK2JAK1MEN1KMT2A
SCHEMBL22776293 0.87 USP30 (0.50) USP30JAK2JAK1MEN1ALDH1A1
SCHEMBL803395 0.87 MEN1 (0.52) USP30JAK2JAK1MEN1ALDH1A1
SCHEMBL1189041 0.87 MEN1 (0.52) USP30JAK2JAK1MEN1ALDH1A1
SCHEMBL34473736 0.87 MEN1 (0.52) USP30JAK2JAK1MEN1ALDH1A1
SCHEMBL18091007 0.85 MEN1 (0.51) USP30JAK2JAK1MEN1ALDH1A1
SCHEMBL555509 0.85 MAPT (0.49) USP30JAK2JAK1MEN1ALDH1A1

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-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP 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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 USP30 3809/4885JAK2 3157/4885JAK1 4357/4885

“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.