SCHEMBL5507005

SCHEMBL5507005

CCOc1ccnc2ccc(C/C=C3\SC(NCc4sccc4C)=NC3=O)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 2/20 0.33
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
BRD4 O60885 1/20 0.31
KAT2B Q92831 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
SCHEMBL14437279 0.87 MEN1 (0.40) CLK1LMNAKDM4EALDH1A1MAPT
SCHEMBL5502564 0.86 CLK4 (0.38) CLK1LMNAKDM4EALDH1A1MAPT
SCHEMBL5505783 0.84 CYP1A2 (0.34) LMNAKDM4EALDH1A1CLK4MEN1
SCHEMBL5508501 0.83 ABL1 (0.33) PDPK1POLB
SCHEMBL4902472 0.82 NPC1 (0.34) CLK1LMNAKDM4EALDH1A1CLK3
SCHEMBL5505196 0.82 SLC2A1 (0.36) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL5508740 0.80 CISD1 (0.36) LMNAMAPTMEN1KMT2ABRD4
SCHEMBL5502774 0.80 HTT (0.35) KDM4EMAPTCLK2DYRK1ACLK4
SCHEMBL5503592 0.79 CLK4 (0.42) CLK1LMNAKDM4EALDH1A1MAPT
SCHEMBL5507768 0.77 CLK4 (0.36) CLK1LMNAKDM4EALDH1A1MAPT

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 CLK1 1009/4885LMNA 1806/4885KDM4E 1106/4885

“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.