SCHEMBL5507148

SCHEMBL5507148

O=C1N=C(NCc2cccs2)S/C1=C\Cc1ccc2nccc(OCC3CCCCC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.34
CLK4 Q9HAZ1 4/20 0.33
PDPK1 O15530 5/20 0.32
HPGD P15428 5/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
F12 P00748 1/20 0.31
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
MEN1 O00255 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
SCHEMBL14437206 0.88 HPGD (0.39) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL5502564 0.87 CLK4 (0.38) CLK4PDPK1HPGDALDH1A1LMNA
SCHEMBL5503592 0.87 CLK4 (0.42) CLK4HPGDALDH1A1LMNACLK1
SCHEMBL5507768 0.85 CLK4 (0.36) CLK4HPGDALDH1A1LMNACLK1
SCHEMBL5505043 0.84 CLK4 (0.36) CLK4HPGDALDH1A1LMNANPC1
SCHEMBL5510799 0.82 CLK4 (0.38) CLK4ALDH1A1LMNANPC1CLK1
SCHEMBL5511506 0.81 KDM1A (0.36) IRAK4PDPK1HPGD
SCHEMBL5507852 0.79 GUCY1B2 (0.37) IRAK4PDPK1
SCHEMBL5509527 0.78 ALDH1A1 (0.41) CLK4ALDH1A1LMNANPC1CLK1
SCHEMBL14437200 0.74 MEN1 (0.41) CDK1CCNB1CCNA2CDK2CLK4

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 CCNB2 25/4885CDK1 1/4885CCNB1 34/4885

“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.