SCHEMBL13776790

SCHEMBL13776790

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.48
▸ PIK3CD O00329 3/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ PIM1 P11309 2/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ PARP1 P09874 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BTK Q06187 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
SCHEMBL13776786 0.89 USP30 (0.49) USP30PIK3CDIRAK1PIM1PIM2
SCHEMBL13776791 0.88 CHEK1 (0.49) USP30PIK3CDIRAK1PIM1PIM2
SCHEMBL13764317 0.86 CHEK1 (0.47) USP30PIK3CDPIM1PIM2JAK2
SCHEMBL13776787 0.84 USP30 (0.53) USP30PIK3CDIRAK1PIM1PIM2
SCHEMBL13776788 0.74 USP30 (0.50) USP30IRAK1PIM1PIM2PARP1
SCHEMBL13764318 0.74 CHEK1 (0.49) USP30PIK3CDPIM1PIM2JAK2
SCHEMBL13776782 0.74 CHEK1 (0.49) USP30PIK3CDPIM1PIM2JAK2
SCHEMBL4350029 0.74 PIK3CD (0.49) USP30PIK3CDGPR119PIK3CAPIK3CB
SCHEMBL21599063 0.72 JAK3 (0.51) USP30PIK3CDPIM1PIM2GPR119
SCHEMBL13764322 0.71 PIK3CD (0.42) USP30PIK3CDPARP1GPR119JAK3

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 1066/4885PIK3CD 283/4885IRAK1 178/4885

“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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