SCHEMBL13776795

SCHEMBL13776795

CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ncc(I)n3cc(-c4ccc(Cl)cc4)nc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 10/20 0.57
▸ MAPKAPK2 P49137 9/20 0.57
▸ JAK2 O60674 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ IGF1R P08069 1/20 0.56
▸ CSNK1D P48730 1/20 0.56
▸ TSSK2 Q96PF2 1/20 0.56
▸ IRAK4 Q9NWZ3 1/20 0.56
▸ TTK P33981 5/20 0.43
▸ BTK Q06187 1/20 0.41
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNG3 O60359 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNB3 P54284 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNG7 P62955 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40

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
SCHEMBL13776797 0.87 CHEK1 (0.55) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776798 0.87 CHEK1 (0.57) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776794 0.85 MAPKAPK2 (0.53) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776782 0.83 CHEK1 (0.49) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259850 0.80 CHEK1 (0.57) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776783 0.75 CHEK1 (0.83) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL29988102 0.72 CACNB4 (0.47) JAK2CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL13258758 0.72 CHEK1 (1.00) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776784 0.72 CHEK1 (1.00) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13764317 0.71 CHEK1 (0.47) CHEK1MAPKAPK2JAK2LCKIGF1R

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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