SCHEMBL5503552

SCHEMBL5503552

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 0.66
MEN1 O00255 12/20 0.66
GAA P10253 1/20 0.66
POLB P06746 6/20 0.55
CHEK1 O14757 1/20 0.54
DAPK3 O43293 1/20 0.54
PRKD3 O94806 1/20 0.54
PIM1 P11309 1/20 0.54
MAPK8 P45983 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CDK8 P49336 1/20 0.54
CLK2 P49760 1/20 0.54
CDK9 P50750 1/20 0.54
CDK5 Q00535 1/20 0.54
DYRK1A Q13627 1/20 0.54
LRRK2 Q5S007 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.49

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
SCHEMBL14437290 0.91 KMT2A (0.60) KMT2AMEN1GAAPOLBCHEK1
SCHEMBL14437261 0.90 KMT2A (0.64) KMT2AMEN1GAAPOLBCHEK1
SCHEMBL14437269 0.89 KMT2A (0.58) KMT2AMEN1GAAPOLBCHEK1
SCHEMBL14437307 0.86 KMT2A (0.49) KMT2AMEN1GAAPOLBCHEK1
SCHEMBL14452272 0.86 KMT2A (0.65) KMT2AMEN1GAAPOLBCHEK1
SCHEMBL14437313 0.86 MYC (0.53) KMT2AMEN1GAAPOLBCHEK1
SCHEMBL5503991 0.86 MYC (0.53) KMT2AMEN1GAAPOLBCHEK1
SCHEMBL5503371 0.86 KMT2A (0.65) KMT2AMEN1GAAPOLBCHEK1
SCHEMBL5503992 0.86 MYC (0.53) KMT2AMEN1GAAPOLBCHEK1
SCHEMBL5503375 0.86 KMT2A (0.65) KMT2AMEN1GAAPOLBCHEK1

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 6 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 disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
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 KMT2A 622/4885MEN1 1239/4885GAA 3945/4885

“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.