SCHEMBL13776791

SCHEMBL13776791

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 7/20 0.49
▸ MAPKAPK2 P49137 7/20 0.49
▸ USP30 Q70CQ3 6/20 0.48
▸ JAK2 O60674 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ TSSK2 Q96PF2 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ IRAK1 P51617 1/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ PIM2 Q9P1W9 2/20 0.42
▸ BTK Q06187 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PIK3CD O00329 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
SCHEMBL13776786 0.90 USP30 (0.49) CHEK1MAPKAPK2USP30JAK2IRAK1
SCHEMBL13776790 0.88 USP30 (0.48) USP30JAK2IRAK1PARP1PIM1
SCHEMBL13776787 0.85 USP30 (0.53) USP30JAK2IRAK1PARP1PIM1
SCHEMBL13776792 0.80 CHEK1 (0.75) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776788 0.75 USP30 (0.50) USP30JAK2IRAK1PARP1PIM1
SCHEMBL13776782 0.75 CHEK1 (0.49) CHEK1MAPKAPK2USP30JAK2LCK
SCHEMBL13764318 0.75 CHEK1 (0.49) CHEK1MAPKAPK2USP30JAK2LCK
SCHEMBL13258871 0.74 MAPKAPK2 (0.71) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13764317 0.73 CHEK1 (0.47) CHEK1MAPKAPK2USP30JAK2LCK
SCHEMBL21599063 0.72 JAK3 (0.51) USP30JAK2PIM1PIM2BTK

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 CHEK1 1/4885MAPKAPK2 43/4885USP30 1066/4885

“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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