SCHEMBL4594818

SCHEMBL4594818

COc1cc2ncnc(Nc3ncc(CCC(=O)Nc4cccc(F)c4)s3)c2cc1OC

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.76
PDGFRB P09619 3/20 0.64
FLT4 P35916 3/20 0.64
FLT3 P36888 1/20 0.64
KDR P35968 4/20 0.64
EGFR P00533 3/20 0.64
AURKB Q96GD4 3/20 0.64
IGF1R P08069 1/20 0.64
FGFR1 P11362 1/20 0.64
SRC P12931 1/20 0.64
FGFR2 P21802 1/20 0.64
FGFR4 P22455 1/20 0.64
FGFR3 P22607 1/20 0.64
CDK2 P24941 1/20 0.64
CSK P41240 1/20 0.64
JAK3 P52333 1/20 0.64
PTK2 Q05397 1/20 0.64
LCK P06239 1/20 0.59
FBP1 P09467 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
SCHEMBL4595690 0.91 AURKA (0.63) AURKAKDREGFRAURKBIGF1R
SCHEMBL5174881 0.89 AURKB (0.75) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL4595372 0.87 AURKA (0.66) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5025165 0.86 AURKA (0.87) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL13399788 0.84 AURKA (0.83) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5045454 0.82 AURKA (0.78) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5049573 0.82 AURKA (0.78) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5049569 0.82 AURKA (0.78) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5046866 0.82 AURKA (0.75) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5049592 0.81 AURKA (0.81) AURKAPDGFRBFLT4FLT3KDR

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 6 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

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 2397/4885PDGFRB 708/4885FLT4 366/4885

“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.