SCHEMBL443588

SCHEMBL443588

Fc1ccc(-c2n[nH]c3cccc(I)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.51
ABL1 P00519 3/20 0.51
KDR P35968 2/20 0.51
DAPK3 O43293 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51
PRKACA P17612 1/20 0.51
FLT1 P17948 1/20 0.51
LTK P29376 1/20 0.51
GRK5 P34947 1/20 0.51
MAP2K2 P36507 1/20 0.51

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
SCHEMBL4381597 0.82 PDPK1 (0.46) PDPK1ABL1KDRDAPK3PRKD3
SCHEMBL5078605 0.81 MAP2K4 (0.55) PDPK1ABL1KDRDAPK3PRKD3
SCHEMBL5072725 0.81 KDR (0.59) PDPK1ABL1KDRDAPK3PRKD3
SCHEMBL441029 0.81 KDR (0.51) ABL1KDRDAPK3PRKD3MAP4K4
SCHEMBL8551547 0.77 ALDH1A1 (0.48) PDGFRBMAPK9ROCK1MAPK14MAP2K4
SCHEMBL5075042 0.75 LRRK2 (0.46) ABL1KDRDAPK3PRKD3MAP4K4
SCHEMBL5377572 0.74 ALDH1A1 (0.71) PDPK1FGFR1FLT1LRRK2MAP2K4
SCHEMBL5209867 0.73 PDPK1 (0.68) PDPK1ABL1KDRDAPK3PRKD3
SCHEMBL27968541 0.71 TTK (0.56) PDPK1KDRDAPK3PRKD3MAP4K4
SCHEMBL28499365 0.71 PDPK1 (0.44) PDPK1ABL1KDRDAPK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 WO 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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R PDPK1 2227/4885ABL1 439/4885KDR 599/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R PDPK1 2214/4885ABL1 471/4885KDR 626/4885

“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.