SCHEMBL3881367

SCHEMBL3881367

COc1c(C(N)=O)cnc2ccc(/C=S3/CC(=O)N=C3N[C@@H](CO)c3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.43
JAK3 P52333 1/20 0.43
MAP4K1 Q92918 2/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
RPS6KB1 P23443 7/20 0.37
AURKA O14965 6/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
EGFR P00533 3/20 0.36
PDE4B Q07343 3/20 0.34
SYK P43405 2/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3883320 0.94 IRAK4 (0.37) IRAK4JAK3MAP4K1MAP4K3FGFR2
SCHEMBL3886266 0.93 IRAK4 (0.37) IRAK4JAK3MAP4K1MAP4K3FGFR2
SCHEMBL3892410 0.89 IRAK4 (0.43) IRAK4JAK3RPS6KB1AURKAEGFR
SCHEMBL3996368 0.89 EGFR (0.35) IRAK4JAK3RPS6KB1AURKAFGFR1
SCHEMBL3883496 0.88 EGFR (0.34) IRAK4JAK3MAP4K1FGFR2EGFR
SCHEMBL3889429 0.88 EGFR (0.34) IRAK4JAK3MAP4K1FGFR1FGFR2
Trifluoroacetic Acid SCHEMBL3883284 0.87 JAK3 (0.41) IRAK4JAK3RPS6KB1AURKAEGFR
SCHEMBL3880153 0.81 EGFR (0.39) EGFRPDE4BSYK
SCHEMBL3883288 0.80 EGFR (0.34) IRAK4MAP4K1EGFR
SCHEMBL3881918 0.79 CASR (0.38) IRAK4JAK3EGFR

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 IRAK4 2540/4885JAK3 548/4885MAP4K1 128/4885

“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.