SCHEMBL3880254

SCHEMBL3880254

COCCOCCOc1c(C#N)cnc2ccc(/C=S3/CC(=O)N=C3NC3CC3)cc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.34
SRC P12931 5/20 0.33
EGFR P00533 4/20 0.33
ERBB2 P04626 3/20 0.33
ABL1 P00519 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
MELK Q14680 2/20 0.33
SSTR2 P30874 2/20 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
SCHEMBL3881919 0.98 IRAK4 (0.36) IRAK4SRCEGFRERBB2ABL1
SCHEMBL3879083 0.90 SRC (0.34) IRAK4SRCEGFRMELK
SCHEMBL3886273 0.89 MELK (0.33) IRAK4SRCEGFRMELK
SCHEMBL3880433 0.87 MELK (0.32) IRAK4SRCMELK
SCHEMBL3879798 0.87 MELK (0.32) IRAK4SRCEGFRMELK
SCHEMBL3879940 0.86 EGFR (0.34) SRCEGFRERBB2ABL1FLT1
SCHEMBL3882529 0.85 MELK (0.33) IRAK4SRCMELK
SCHEMBL3883894 0.85 ENPP1 (0.34) SRCEGFRERBB2
SCHEMBL3884165 0.84 MELK (0.32) IRAK4SRCMELK
SCHEMBL3880103 0.83 SRC (0.34) SRCEGFRERBB2ABL1FLT1

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
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP claimed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US claimed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP claimed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO claimed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 US claimed
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 US 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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 IRAK4 2540/4885SRC 1014/4885EGFR 1881/4885

“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.