SCHEMBL5508501

SCHEMBL5508501

CCOc1ccnc2ccc(C/C=C3\SC(NCc4c(C)cccc4Cl)=NC3=O)cc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
APP P05067 2/20 0.33
PDE10A Q9Y233 1/20 0.33
EIF2AK1 Q9BQI3 3/20 0.32
POLB P06746 1/20 0.32
CISD1 Q9NZ45 1/20 0.31
ALOX5 P09917 1/20 0.31
PDPK1 O15530 1/20 0.31
CYP3A4 P08684 1/20 0.31
CD38 P28907 1/20 0.31
DOT1L Q8TEK3 1/20 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
SCHEMBL5505196 0.88 SLC2A1 (0.36) APPPOLBCISD1PDPK1
SCHEMBL14437276 0.87 CISD1 (0.40) ABL1SRCEIF2AK1POLBCISD1
SCHEMBL5507005 0.83 CLK1 (0.34) POLBPDPK1
SCHEMBL5508740 0.83 CISD1 (0.36) APPCISD1PDPK1CYP3A4
SCHEMBL5502564 0.82 CLK4 (0.38) PDPK1CYP3A4
SCHEMBL5505783 0.82 CYP1A2 (0.34) PDE10APDPK1CYP3A4
SCHEMBL5502774 0.78 HTT (0.35) POLBPDPK1
SCHEMBL5503592 0.76 CLK4 (0.42) CYP3A4
SCHEMBL14437272 0.75 CISD1 (0.41) APPPOLBCISD1ALOX5
SCHEMBL3025813 0.75 EGFR (0.37) PDPK1

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
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-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 ABL1 170/4885SRC 940/4885APP 4866/4885

“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.