SCHEMBL3025813

SCHEMBL3025813

CCOc1ccnc2ccc(C/C=C3\SC(N[C@@H](CO)c4ccccc4)=NC3=O)cc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.37
PDPK1 O15530 3/20 0.34
MAPK1 P28482 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
KCNH2 Q12809 1/20 0.33
CRHR1 P34998 1/20 0.32
FGFR2 P21802 2/20 0.32
FGFR1 P11362 1/20 0.31
FGFR3 P22607 1/20 0.31
DYRK1A Q13627 2/20 0.31

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 0.94 EGFR (0.38) EGFRFGFR2
SCHEMBL5506217 0.91 MAPK1 (0.35) EGFRPDPK1MAPK1FGFR2
SCHEMBL5507852 0.87 GUCY1B2 (0.37) PDPK1
SCHEMBL13233381 0.87 MEN1 (0.42) EGFRMAPK1DYRK1A
SCHEMBL13898543 0.87 MEN1 (0.42) EGFRMAPK1DYRK1A
SCHEMBL5504200 0.81 MAPK1 (0.36) EGFRMAPK1
SCHEMBL14437205 0.80 EGFR (0.39) EGFRFGFR2DYRK1A
SCHEMBL5510707 0.79 KDM1A (0.37) EGFRPDPK1
SCHEMBL14437258 0.78 MAPK1 (0.36) EGFRMAPK1FGFR2DYRK1A
SCHEMBL5505196 0.78 SLC2A1 (0.36) PDPK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US claimed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP claimed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US claimed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO claimed
US-7749486-B2 Tumor models employing green fluorescent protein HOFFMANN-LA ROCHE INC. (US) 2010-07-06 US disclosed
EP-2037270-A2 Tumor models employing green fluorescent protein F. HOFFMANN-LA ROCHE AG (CH) 2009-03-18 EP disclosed
US-20070231789-A1 Tumor models employing green fluorescent protein QING WEIGUO 2007-10-04 US disclosed
EP-1840570-A1 Tumor models employing green fluorescent protein F. HOFFMANN-LA ROCHE AG (CH) 2007-10-03 EP disclosed
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 EGFR 2116/4885PDPK1 550/4885MAPK1 640/4885

“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.