SCHEMBL4594683

SCHEMBL4594683

COc1cc2ncnc(Nc3ncc(CCC(=O)O)s3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.60
KDR P35968 9/20 0.50
EGFR P00533 5/20 0.50
RET P07949 2/20 0.50
LCK P06239 1/20 0.49
AURKB Q96GD4 3/20 0.49
GAK O14976 1/20 0.48
RIPK2 O43353 1/20 0.48
STK10 O94804 1/20 0.48
FLT3 P36888 1/20 0.48
JAK3 P52333 1/20 0.48
AAK1 Q2M2I8 1/20 0.48
Q6ZSR9 Q6ZSR9 1/20 0.48
SLK Q9H2G2 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
RPS6KA6 Q9UK32 1/20 0.48
ALK Q9UM73 1/20 0.48

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
SCHEMBL4595269 0.92 AURKA (0.58) AURKAKDREGFRRETLCK
SCHEMBL4595690 0.83 AURKA (0.63) AURKAKDREGFRAURKBJAK3
SCHEMBL4594818 0.81 AURKA (0.76) AURKAKDREGFRLCKAURKB
SCHEMBL14095616 0.79 AURKA (0.57) AURKAKDREGFRAURKBJAK3
SCHEMBL14095613 0.77 AURKA (0.60) AURKAKDREGFRAURKBJAK3
SCHEMBL14095610 0.77 AURKA (0.61) AURKAKDREGFRAURKBJAK3
SCHEMBL14421354 0.74 AURKA (0.52) AURKAKDREGFRRETLCK
SCHEMBL5027804 0.72 AURKA (0.74) AURKAKDREGFRAURKBFLT3
SCHEMBL23075114 0.72 KDR (0.69) KDREGFR
SCHEMBL4760833 0.71 KDR (0.69) AURKAKDREGFRRETLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948651-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2008-07-30 EP disclosed
US-20070149523-A1 Thiazole Analogues and Uses Thereof 4SC AG (DE) 2007-06-28 US disclosed
US-20070149523-A1 Thiazole Analogues and Uses Thereof 4SC AG (DE) 2007-06-28 US disclosed
US-20070149523-A1 Thiazole Analogues and Uses Thereof 4SC AG (DE) 2007-06-28 US disclosed
WO-2007054357-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2007-05-18 WO disclosed
WO-2007054357-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2007-05-18 WO disclosed
EP-1785420-A1 Thiazole analogues and uses thereof 4SC AG (DE) 2007-05-16 EP disclosed
EP-1785420-A1 Thiazole analogues and uses thereof 4SC AG (DE) 2007-05-16 EP 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-20070149523-A1 Thiazole Analogues and Uses Thereof NR3C2, SLC26A4, CLIC4 AURKA 2397/4885KDR 1073/4885EGFR 186/4885

“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.