SCHEMBL5509074

SCHEMBL5509074

COCCOc1ccnc2ccc(C/C=C3\SC(NC(=O)OC(C)(C)C)=NC3=O)cc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.33
AAK1 Q2M2I8 4/20 0.33
AXL P30530 3/20 0.33
IDO1 P14902 1/20 0.32
BRD4 O60885 1/20 0.32
MAP4K4 O95819 1/20 0.31
PDPK1 O15530 3/20 0.30
CISD1 Q9NZ45 1/20 0.30
MET P08581 1/20 0.30
CYP17A1 P05093 1/20 0.30
ATR Q13535 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
SCHEMBL5518881 0.93 AAK1 (0.33) AAK1AXLIDO1MAP4K4PDPK1
SCHEMBL5506720 0.92 MET (0.33) AAK1AXLIDO1MAP4K4PDPK1
SCHEMBL14437271 0.87 CISD1 (0.39) FLT3AAK1BRD4MAP4K4CISD1
SCHEMBL5518997 0.86 PDGFRA (0.39) AAK1AXLMET
SCHEMBL5506278 0.81 MET (0.36) FLT3AXLPDPK1CISD1MET
SCHEMBL5510840 0.81 MET (0.36) FLT3PDPK1CISD1MET
SCHEMBL5504955 0.80 KMT2A (0.43) MET
SCHEMBL5506217 0.79 MAPK1 (0.35) PDPK1MET
SCHEMBL14437291 0.79 CISD1 (0.39) AAK1CISD1
SCHEMBL5507768 0.78 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds OSI PHARMACEUTICALS, INC. 2006-03-23 US 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
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds OSI PHARMACEUTICALS, INC. 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 (2 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-20060063791-A1 (Spirocyclylamido)aminothiophene compounds KIT, BRDT, MALT1 FLT3 34/4885AAK1 1203/4885AXL 570/4885
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 FLT3 263/4885AAK1 2322/4885AXL 1654/4885

“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.