SCHEMBL13776792

SCHEMBL13776792

NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3cccc(-c4ccncc4)c3)cn12

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.75
▸ MAPKAPK2 P49137 8/20 0.75
▸ JAK2 O60674 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ CSNK1D P48730 1/20 0.51
▸ TSSK2 Q96PF2 1/20 0.51
▸ IRAK4 Q9NWZ3 1/20 0.51
▸ KCNH2 Q12809 3/20 0.47
▸ AURKB Q96GD4 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ MAPK3 P27361 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SYK P43405 1/20 0.44

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
SCHEMBL13258882 0.94 CHEK1 (0.81) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258891 0.90 CHEK1 (0.80) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258967 0.89 CHEK1 (0.78) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258887 0.88 CHEK1 (0.79) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258969 0.86 CHEK1 (1.00) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259783 0.83 CHEK1 (1.00) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13764316 0.83 CHEK1 (1.00) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258870 0.83 CHEK1 (1.00) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776791 0.80 CHEK1 (0.49) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258778 0.74 CHEK1 (0.56) CHEK1MAPKAPK2LCKIRAK4KCNH2

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 2 patents. 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
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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