SCHEMBL3882246

SCHEMBL3882246

CCOc1c(C#N)cnc2ccc(/C=S3/CC(=O)N=C3N[C@@H](CO)c3ccccc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
STK4 Q13043 4/20 0.34
EGFR P00533 12/20 0.33
PRKDC P78527 3/20 0.33
ERBB2 P04626 5/20 0.32
MAP3K8 P41279 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31
IGF1R P08069 1/20 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
SCHEMBL3883288 0.92 EGFR (0.34) MAP4K1IRAK4EGFRPRKDCERBB2
SCHEMBL3881877 0.87 STK4 (0.32) STK4EGFRPRKDCERBB2
SCHEMBL3887443 0.87 STK4 (0.32) STK4EGFRPRKDCERBB2
SCHEMBL3882691 0.87 STK4 (0.32) STK4EGFRPRKDCERBB2
SCHEMBL5508752 0.82 SRC (0.33)
SCHEMBL3881126 0.82 SRC (0.33)
SCHEMBL3883320 0.82 IRAK4 (0.37) MAP4K1IRAK4EGFRMAPK1
SCHEMBL3883355 0.82 SRC (0.33) EGFRERBB2
SCHEMBL3886273 0.82 MELK (0.33) IRAK4EGFR
SCHEMBL3886266 0.81 IRAK4 (0.37) MAP4K1IRAK4EGFRMAPK1

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 MAP4K1 128/4885IRAK4 2540/4885STK4 133/4885

“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.