SCHEMBL5506787

SCHEMBL5506787

CN(C)CCOc1ccnc2ccc(C/C=C3\SC(NCCc4cccc(F)c4)=NC3=O)cc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.37
CISD1 Q9NZ45 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
EGFR P00533 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
MET P08581 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
SCHEMBL14437295 0.89 CISD1 (0.45) PDPK1CISD1TAAR1HTR2AHTR2C
SCHEMBL5502498 0.87 CISD1 (0.35) CISD1CSNK2A2CSNK2A1
SCHEMBL5502843 0.82 CISD1 (0.34) CISD1TAAR1CSNK2A2CSNK2A1
SCHEMBL5505342 0.79 CISD1 (0.48) CISD1CSNK2A2CSNK2A1
SCHEMBL14437310 0.79 CISD1 (0.48) CISD1CSNK2A2CSNK2A1
SCHEMBL5505339 0.79 CISD1 (0.48) CISD1CSNK2A2CSNK2A1
SCHEMBL5502774 0.77 HTT (0.35) PDPK1
SCHEMBL14437296 0.76 CISD1 (0.45) CISD1CSNK2A2CSNK2A1
SCHEMBL5508740 0.73 CISD1 (0.36) PDPK1CISD1EGFR
SCHEMBL5507768 0.72 CLK4 (0.36)

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 PDPK1 550/4885CISD1 905/4885TAAR1 4368/4885

“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.