SCHEMBL7127859

SCHEMBL7127859

N#Cc1c(NCc2ccccc2)sc2c(=O)[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
IP6K1 Q92551 1/20 0.43
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
GRM1 Q13255 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
PDPK1 O15530 3/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
BRD4 O60885 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL7127071 0.80 PDPK1 (0.37) PIM1PIM3CLK4KDM4EALDH1A1
SCHEMBL7124624 0.79 PDPK1 (0.39) PIM1PIM3CLK4KDM4EALDH1A1
SCHEMBL7122752 0.77 HPGD (0.38) PIM1PIM3CLK4KDM4EALDH1A1
SCHEMBL7124558 0.75 PIM1 (0.36) PIM1PIM3CLK4PDPK1CDC7
SCHEMBL7118113 0.75 JAK2 (0.38) PIM1PIM3CLK4IP6K1KDM4E
SCHEMBL7127240 0.74 HPGD (0.40) PIM1PIM3CLK4KDM4EALDH1A1
SCHEMBL7129547 0.73 PDPK1 (0.38) PIM1PIM3CLK4IP6K1KDM4E
SCHEMBL7118477 0.71 IP6K1 (0.39) PIM1PIM3CLK4IP6K1KDM4E
SCHEMBL7119560 0.71 IP6K1 (0.41) PIM1PIM3CLK4IP6K1KDM4E
SCHEMBL1621824 0.69 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGRM1SMN1; SMN2

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 PIM1 881/4885PIM3 577/4885CLK4 1669/4885

“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.