SCHEMBL13776787

SCHEMBL13776787

CC(C)(C)OC(=O)N1CCC[C@H](Nc2nccn3cc(-c4cccc(-c5ccncc5)c4)nc23)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.53
▸ PIM1 P11309 4/20 0.45
▸ PIM2 Q9P1W9 4/20 0.45
▸ IRAK1 P51617 1/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ TRPV1 Q8NER1 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
SCHEMBL13776788 0.90 USP30 (0.50) USP30PIM1PIM2IRAK1PARP1
SCHEMBL13776786 0.86 USP30 (0.49) USP30PIM1PIM2IRAK1PARP1
SCHEMBL13764319 0.85 CNR1 (0.47) USP30PIM1PIM2PARP1JAK2
SCHEMBL13776791 0.85 CHEK1 (0.49) USP30PIM1PIM2IRAK1PARP1
SCHEMBL13776790 0.84 USP30 (0.48) USP30PIM1PIM2IRAK1PARP1
SCHEMBL21599063 0.77 JAK3 (0.51) USP30PIM1PIM2JAK2JAK3
SCHEMBL31227090 0.75 USP30 (0.46) USP30PIM1PIM2PARP1PIK3CD
SCHEMBL31227754 0.74 USP30 (0.48) USP30PIM1PIM2PIK3CDANO1
SCHEMBL31227342 0.72 PIK3CD (0.51) USP30PIM1PIM2IRAK1JAK2
SCHEMBL2489770 0.72 USP30 (0.52) USP30PIM1PIM2PARP1HDAC4

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-20090175852-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2009-07-09 — — 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-20090175852-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS CHEK1, CHEK2, CDKN1A USP30 1066/4885PIM1 259/4885PIM2 274/4885

“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.

Send feedback