SCHEMBL13638668

SCHEMBL13638668

Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CC[C@@H]3C4)nc3ccsc23)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.45
JAK2 O60674 2/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
ROS1 P08922 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL13638724 1.00 IRAK4 (0.45) IRAK4JAK2DYRK3PRKD3MAP4K4
SCHEMBL13633951 0.82 IRAK4 (0.40) IRAK4JAK2DYRK3PRKD3MAP4K4
SCHEMBL13633932 0.82 IRAK4 (0.40) IRAK4JAK2DYRK3PRKD3MAP4K4
SCHEMBL4526261 0.82 IRAK4 (0.40) IRAK4JAK2DYRK3PRKD3MAP4K4
Hydrochloric Acid SCHEMBL4526304 0.81 IRAK4 (0.40) IRAK4JAK2DYRK3PRKD3MAP4K4
Hydrochloric Acid SCHEMBL4526299 0.81 IRAK4 (0.40) IRAK4JAK2DYRK3PRKD3MAP4K4
SCHEMBL13638726 0.74 PAK1 (0.41) IRAK4JAK2DYRK3PRKD3MAP4K4
SCHEMBL4521380 0.74 GPR119 (0.38) IRAK4JAK2BRD4
SCHEMBL4521377 0.74 GPR119 (0.38) IRAK4JAK2BRD4
SCHEMBL13633952 0.74 GPR119 (0.38) IRAK4JAK2BRD4

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 IRAK4 4490/4885JAK2 1073/4885DYRK3 763/4885

“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.