SCHEMBL13638726

SCHEMBL13638726

Cc1cc(Nc2nc(C)nc3ccsc23)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 8/20 0.41
TGFBR1 P36897 1/20 0.39
PAK4 O96013 7/20 0.37
OPRM1 P35372 1/20 0.37
HTT P42858 1/20 0.37
PRKD3 O94806 2/20 0.36
FYN P06241 2/20 0.36
RET P07949 2/20 0.36
FGFR1 P11362 2/20 0.36
PRKACA P17612 2/20 0.36
CLK1 P49759 2/20 0.36
GSK3B P49841 2/20 0.36
RPS6KA3 P51812 2/20 0.36
BTK Q06187 2/20 0.36
PRKAA1 Q13131 2/20 0.36
STK3 Q13188 2/20 0.36
AURKB Q96GD4 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 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
SCHEMBL4511831 0.88 PAK1 (0.40) PAK1TGFBR1PAK4HTTPRKD3
SCHEMBL786354 0.82 PDE4A (0.53) TGFBR1GSK3BAURKALATS1SRC
SCHEMBL7125304 0.81 FADS1 (0.52) AURKBAURKANTRK1FLT3FLT1
SCHEMBL13638668 0.74 IRAK4 (0.45) PAK1PAK4PRKD3FYNRET
SCHEMBL13638724 0.74 IRAK4 (0.45) PAK1PAK4PRKD3FYNRET
SCHEMBL13633951 0.74 IRAK4 (0.40) PAK1PAK4PRKD3FYNRET
SCHEMBL13633932 0.74 IRAK4 (0.40) PAK1PAK4PRKD3FYNRET
SCHEMBL4526261 0.74 IRAK4 (0.40) PAK1PAK4PRKD3FYNRET
Hydrochloric Acid SCHEMBL4526304 0.73 IRAK4 (0.40) PAK1PAK4PRKD3FYNRET
SCHEMBL10268901 0.73 HTT (0.63) TGFBR1HTTADORA2AADORA1PDE4A

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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 PAK1 2492/4885TGFBR1 3213/4885PAK4 3321/4885

“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.