SCHEMBL12344014

SCHEMBL12344014

Cc1cc(-c2ccc3c(-c4ccc(I)c(F)c4)n[nH]c3n2)cc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.38
ALOX5 P09917 1/20 0.36
GSK3B P49841 9/20 0.34
GSK3A P49840 8/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34

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
SCHEMBL4362509 0.87 SIRT1 (0.40) ALKALOX5GSK3BGSK3AAURKA
SCHEMBL12054541 0.81 FGFR4 (0.42) ALKGSK3BGSK3APIM1FGFR1
SCHEMBL14139641 0.78 GSK3A (0.44) ALKGSK3BGSK3AAURKADAPK3
SCHEMBL12035484 0.78 PDE4A (0.46) FGFR1KDRMAPTCDK2MAPK1
SCHEMBL12035290 0.77 ALOX5 (0.40) ALKALOX5GSK3BGSK3AFGFR1
SCHEMBL12342682 0.77 MEN1 (0.39) ALKGSK3BGSK3AAURKADAPK3
SCHEMBL11939514 0.73 FGFR4 (0.43) ALKGSK3BGSK3AAURKADAPK3
SCHEMBL11939092 0.73 GSK3B (0.35) ALKALOX5GSK3BGSK3AJAK2
SCHEMBL14149582 0.72 ERN1 (0.41) GSK3BGSK3APIM1LRRK2MAPT
SCHEMBL4348091 0.72 KMT2A (0.45) KDRFLT3MAPK8LRRK2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 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 (2 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 ALK 741/4885ALOX5 3642/4885GSK3B 345/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 ALK 741/4885ALOX5 3642/4885GSK3B 345/4885

“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.