SCHEMBL13776782

SCHEMBL13776782

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(I)n3cc(-c4ccc(Cl)cc4)nc23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 8/20 0.49
▸ MAPKAPK2 P49137 7/20 0.49
▸ JAK2 O60674 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ CSNK1D P48730 1/20 0.48
▸ TSSK2 Q96PF2 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ CNR1 P21554 2/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ USP30 Q70CQ3 2/20 0.43
▸ PIK3CD O00329 2/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PIM2 Q9P1W9 2/20 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
SCHEMBL13764318 0.91 CHEK1 (0.49) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13764317 0.88 CHEK1 (0.47) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776786 0.85 USP30 (0.49) CHEK1MAPKAPK2JAK2USP30PIK3CD
SCHEMBL13764319 0.84 CNR1 (0.47) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776795 0.83 CHEK1 (0.57) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259850 0.79 CHEK1 (0.57) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258871 0.77 MAPKAPK2 (0.71) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13764322 0.75 PIK3CD (0.42) CNR1CNR2USP30PIK3CDALOX5
SCHEMBL13776791 0.75 CHEK1 (0.49) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL24096807 0.74 BTK (0.40) IGF1RCNR1CNR2USP30PIK3CD

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 43/4885JAK2 71/4885

“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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