SCHEMBL3880872

SCHEMBL3880872

CC(C)(C)OC(=O)N1CCC(Oc2c(C#N)cnc3ccc(/C=S4/CC(=O)N=C4NC4CC4)cc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
PIK3CD O00329 1/20 0.40
TBK1 Q9UHD2 5/20 0.39
GPR119 Q8TDV5 7/20 0.39
NSD2 O96028 2/20 0.38
EHMT2 Q96KQ7 1/20 0.36
CNR1 P21554 1/20 0.36
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
IKBKE Q14164 1/20 0.35
EGFR P00533 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL3888408 0.91 IRAK4 (0.34) IRAK4PIK3CDTBK1EGFR
SCHEMBL3950194 0.90 ERBB2 (0.35) IRAK4EGFR
SCHEMBL3879988 0.89 GPR119 (0.41) IRAK4PIK3CDTBK1GPR119NPBWR1
SCHEMBL3880907 0.83 TBK1 (0.35) TBK1IKBKE
SCHEMBL3880202 0.82 GPR119 (0.48) IRAK4PIK3CDTBK1GPR119NPBWR1
SCHEMBL3880433 0.81 MELK (0.32) IRAK4
SCHEMBL13955655 0.81 GPR119 (0.43) IRAK4PIK3CDTBK1GPR119NSD2
SCHEMBL3886273 0.80 MELK (0.33) IRAK4PIK3CDEGFR
SCHEMBL3882529 0.80 MELK (0.33) IRAK4
SCHEMBL3879083 0.78 SRC (0.34) IRAK4EGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2540/4885PIK3CD 728/4885TBK1 701/4885

“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.