SCHEMBL5507852

SCHEMBL5507852

O=C1N=C(N[C@@H](CO)c2ccccc2)S/C1=C\Cc1ccc2nccc(OCC3CCCCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 2/20 0.37
GUCY1A2 P33402 2/20 0.37
GUCY1A1 Q02108 2/20 0.37
GUCY1B1 Q02153 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
GPR88 Q9GZN0 3/20 0.35
PDPK1 O15530 6/20 0.33
MET P08581 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
SCHEMBL14437218 0.88 HPGD (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1IRAK4
SCHEMBL3025813 0.87 EGFR (0.37) PDPK1
SCHEMBL5509030 0.87 EGFR (0.38) MET
SCHEMBL5506217 0.85 MAPK1 (0.35) IRAK4PDPK1MET
SCHEMBL5511506 0.82 KDM1A (0.36) IRAK4PDPK1MET
SCHEMBL5507148 0.79 CCNB2 (0.38) IRAK4PDPK1
SCHEMBL5504200 0.78 MAPK1 (0.36)
SCHEMBL13233381 0.75 MEN1 (0.42)
SCHEMBL13898543 0.75 MEN1 (0.42)
SCHEMBL14437205 0.74 EGFR (0.39)

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 GUCY1B2 4786/4885GUCY1A2 4807/4885GUCY1A1 4739/4885

“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.