SCHEMBL7121395

SCHEMBL7121395

N#Cc1c(N2CCCCC2)sc2c(=O)[nH]cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 7/20 0.48
IP6K3 Q96PC2 2/20 0.48
IP6K2 Q9UHH9 1/20 0.48
HTT P42858 1/20 0.48
KCNMA1 Q12791 2/20 0.39
DAPK3 O43293 2/20 0.37
PRKD3 O94806 2/20 0.37
PIM1 P11309 2/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
PIM3 Q86V86 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CDC7 O00311 1/20 0.37
IKBKB O14920 1/20 0.37
AURKA O14965 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
MAP4K4 O95819 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
SCHEMBL7119560 0.74 IP6K1 (0.41) IP6K1IP6K3IP6K2HTTDAPK3
SCHEMBL7127240 0.73 HPGD (0.40) HTTDAPK3PRKD3PIM1GSK3A
SCHEMBL7118477 0.72 IP6K1 (0.39) IP6K1IP6K3IP6K2HTTDAPK3
SCHEMBL7129547 0.72 PDPK1 (0.38) IP6K1IP6K3IP6K2HTTDAPK3
SCHEMBL7118113 0.72 JAK2 (0.38) IP6K1IP6K3IP6K2HTTDAPK3
SCHEMBL7119830 0.71 PDPK1 (0.40) HTTDAPK3PRKD3PIM1GSK3A
SCHEMBL7127142 0.70 PDPK1 (0.41) HTTDAPK3PRKD3PIM1GSK3A
SCHEMBL7125512 0.69 PIM1 (0.42) HTTDAPK3PRKD3PIM1GSK3A
SCHEMBL7127071 0.68 PDPK1 (0.37) HTTDAPK3PRKD3PIM1GSK3A
SCHEMBL7124624 0.68 PDPK1 (0.39) HTTDAPK3PRKD3PIM1GSK3A

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-20030096813-A1 Compositions useful as inhibitors of GSK-3 CAO JINGRONG (US) 2003-05-22 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-20030096813-A1 Compositions useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP IP6K1 804/4885IP6K3 434/4885IP6K2 1142/4885

“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.