SCHEMBL7124624

SCHEMBL7124624

CC(C)CNc1sc2c(=O)[nH]cnc2c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIM1 P11309 3/20 0.36
PIM3 Q86V86 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
DAPK3 O43293 2/20 0.36
PRKD3 O94806 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
CDC7 O00311 1/20 0.36
IKBKB O14920 1/20 0.36
AURKA O14965 1/20 0.36
DYRK3 O43781 1/20 0.36

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
SCHEMBL7122752 0.88 HPGD (0.38) PDPK1HPGDPOLBHTTKDM4E
SCHEMBL7127071 0.84 PDPK1 (0.37) PDPK1HPGDPOLBHTTKDM4E
SCHEMBL7127240 0.84 HPGD (0.40) PDPK1HPGDPOLBHTTKDM4E
SCHEMBL7127859 0.79 PIM1 (0.44) PDPK1HPGDKDM4EALDH1A1PIM1
SCHEMBL7118113 0.77 JAK2 (0.38) PDPK1HPGDPOLBHTTKDM4E
SCHEMBL7124558 0.77 PIM1 (0.36) PDPK1HTTPIM1PIM3CLK4
SCHEMBL7129547 0.75 PDPK1 (0.38) PDPK1HPGDPOLBHTTKDM4E
SCHEMBL7119830 0.74 PDPK1 (0.40) PDPK1HPGDPOLBHTTKDM4E
SCHEMBL7118477 0.73 IP6K1 (0.39) PDPK1HPGDHTTKDM4EALDH1A1
SCHEMBL7119560 0.72 IP6K1 (0.41) PDPK1HPGDHTTKDM4EALDH1A1

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 PDPK1 355/4885HPGD 2365/4885POLB 2870/4885

“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.