SCHEMBL5506217

SCHEMBL5506217

COCCOc1ccnc2ccc(C/C=C3\SC(N[C@@H](CO)c4ccccc4)=NC3=O)cc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.35
EGFR P00533 8/20 0.33
FGFR2 P21802 1/20 0.32
TACR3 P29371 1/20 0.31
MAP4K1 Q92918 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PDPK1 O15530 1/20 0.31
MET P08581 2/20 0.31
NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL5509030 0.93 EGFR (0.38) EGFRFGFR2MET
SCHEMBL3025813 0.91 EGFR (0.37) MAPK1EGFRFGFR2PDPK1
SCHEMBL14437258 0.88 MAPK1 (0.36) MAPK1EGFRFGFR2
SCHEMBL5507852 0.85 GUCY1B2 (0.37) IRAK4PDPK1MET
SCHEMBL5514567 0.80 EGFR (0.41) MAPK1EGFRMET
SCHEMBL14437205 0.80 EGFR (0.39) EGFRFGFR2
SCHEMBL5504200 0.79 MAPK1 (0.36) MAPK1EGFR
SCHEMBL5509074 0.79 FLT3 (0.33) PDPK1MET
SCHEMBL13233381 0.79 MEN1 (0.42) MAPK1EGFR
SCHEMBL13898543 0.79 MEN1 (0.42) MAPK1EGFR

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-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP claimed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO claimed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 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-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 MAPK1 640/4885EGFR 2116/4885FGFR2 2621/4885

“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.