SCHEMBL5502498

SCHEMBL5502498

O=C1N=C(NCCc2cccc(F)c2)S/C1=C\Cc1ccc2nccc(OCC(F)(F)F)c2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.35
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
CSNK2A2 P19784 2/20 0.33
CSNK2A1 P68400 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
ACVR1 Q04771 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL14437296 0.88 CISD1 (0.45) CISD1CCNCCDK8CSNK2A2CSNK2A1
SCHEMBL5506787 0.87 PDPK1 (0.37) CISD1CSNK2A2CSNK2A1
SCHEMBL5502843 0.82 CISD1 (0.34) CISD1CCNCCDK8CSNK2A2CSNK2A1
SCHEMBL14437310 0.79 CISD1 (0.48) CISD1CCNCCDK8CSNK2A2CSNK2A1
SCHEMBL5505339 0.79 CISD1 (0.48) CISD1CCNCCDK8CSNK2A2CSNK2A1
SCHEMBL5505342 0.79 CISD1 (0.48) CISD1CCNCCDK8CSNK2A2CSNK2A1
SCHEMBL5506963 0.78 CHEK1 (0.37) CDK8CLK4
SCHEMBL5502774 0.78 HTT (0.35) CDK8CLK4
SCHEMBL14437295 0.76 CISD1 (0.45) CISD1CSNK2A2CSNK2A1GPR84
SCHEMBL5508740 0.73 CISD1 (0.36) CISD1

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 CISD1 905/4885CCNC 51/4885CDK8 19/4885

“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.