SCHEMBL4199915

SCHEMBL4199915

Cc1nn(C)c2sc3c(=O)[nH]cnc3c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 4/20 1.00
CLK4 Q9HAZ1 4/20 1.00
DAPK3 O43293 3/20 1.00
PRKD3 O94806 3/20 1.00
DYRK1A Q13627 3/20 1.00
PIM1 P11309 3/20 1.00
GSK3A P49840 2/20 1.00
GSK3B P49841 2/20 1.00
PRKACA P17612 2/20 1.00
CSNK1A1 P48729 2/20 1.00
CDK8 P49336 2/20 1.00
CDK5 Q00535 2/20 1.00
MAP2K1 Q02750 2/20 1.00
PRKCQ Q04759 2/20 1.00
DYRK1B Q9Y463 2/20 1.00
PDGFRA P16234 1/20 1.00
MAP4K4 O95819 2/20 0.47
CLK2 P49760 2/20 0.47
ROCK1 Q13464 2/20 0.47
CDC7 O00311 1/20 0.47

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
SCHEMBL460818 0.70 DAPK3 (0.54) PIM3CLK4DAPK3PRKD3DYRK1A
SCHEMBL17292789 0.70 DAPK3 (0.54) PIM3CLK4DAPK3PRKD3DYRK1A
SCHEMBL4207656 0.68 PARP1 (0.54) PIM3CLK4DAPK3PRKD3DYRK1A
SCHEMBL7227346 0.66 PDPK1 (0.51) PIM3CLK4DAPK3PRKD3DYRK1A
SCHEMBL273173 0.66 CHRM4 (0.57) PIM3CLK4DAPK3PRKD3DYRK1A
SCHEMBL18666379 0.65 HPGD (0.53) PIM3CLK4DAPK3PRKD3DYRK1A
SCHEMBL10565373 0.62 PIM1 (0.57) PIM3CLK4DAPK3PRKD3DYRK1A
SCHEMBL358129 0.62 PDPK1 (1.00) PIM3CLK4DAPK3PRKD3DYRK1A
SCHEMBL8237434 0.61 GRM1 (0.54) PDPK1KDM4EHPGDALDH1A1KMT2A
SCHEMBL7221584 0.61 PDPK1 (0.48) PIM3CLK4DAPK3PRKD3DYRK1A

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-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 US claimed
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 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-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 PIM3 2/4885CLK4 792/4885DAPK3 10/4885

“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.