SCHEMBL3879798

SCHEMBL3879798

CC(C)COc1c(C#N)cnc2ccc(/C=S3/CC(=O)N=C3NC3CC3)cc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MELK Q14680 3/20 0.32
SRC P12931 2/20 0.31
EGFR P00533 1/20 0.31
XDH P47989 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
ACACB O00763 1/20 0.30
DYRK1A Q13627 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
SCHEMBL3886273 0.91 MELK (0.33) MELKSRCEGFRIRAK4DYRK1A
SCHEMBL3882529 0.90 MELK (0.33) MELKSRCIRAK4
SCHEMBL3879083 0.89 SRC (0.34) MELKSRCEGFRIRAK4DYRK1A
SCHEMBL3881919 0.89 IRAK4 (0.36) MELKSRCEGFRIRAK4DYRK1A
SCHEMBL3880433 0.89 MELK (0.32) MELKSRCIRAK4DYRK1A
SCHEMBL3884165 0.88 MELK (0.32) MELKSRCIRAK4
SCHEMBL3880254 0.87 IRAK4 (0.34) MELKSRCEGFRIRAK4
SCHEMBL3880415 0.85 XDH (0.33) SRCEGFRXDH
SCHEMBL3880907 0.83 TBK1 (0.35)
SCHEMBL3950194 0.80 ERBB2 (0.35) EGFRIRAK4

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
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
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 MELK 962/4885SRC 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.