SCHEMBL13776786

SCHEMBL13776786

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(I)n3cc(-c4cccc(-c5ccncc5)c4)nc23)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.49
▸ IRAK1 P51617 1/20 0.43
▸ PIM1 P11309 4/20 0.42
▸ PIM2 Q9P1W9 4/20 0.42
▸ PIK3CD O00329 2/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL13776791 0.90 CHEK1 (0.49) USP30IRAK1PIM1PIM2PIK3CD
SCHEMBL13776790 0.89 USP30 (0.48) USP30IRAK1PIM1PIM2PIK3CD
SCHEMBL13776787 0.86 USP30 (0.53) USP30IRAK1PIM1PIM2PIK3CD
SCHEMBL13776782 0.85 CHEK1 (0.49) USP30PIM1PIM2PIK3CDJAK2
SCHEMBL13776788 0.76 USP30 (0.50) USP30IRAK1PIM1PIM2PARP1
SCHEMBL13764318 0.76 CHEK1 (0.49) USP30PIM1PIM2PIK3CDJAK2
SCHEMBL13764317 0.74 CHEK1 (0.47) USP30PIM1PIM2PIK3CDJAK2
SCHEMBL21599063 0.73 JAK3 (0.51) USP30PIM1PIM2PIK3CDGPR119
SCHEMBL31227090 0.72 USP30 (0.46) USP30PIM1PIM2PIK3CDGPR119
SCHEMBL13764319 0.71 CNR1 (0.47) USP30PIM1PIM2PIK3CDPARP1

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 1066/4885IRAK1 178/4885PIM1 259/4885

“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.

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