SCHEMBL3883564

SCHEMBL3883564

CC(C)COc1c(C#N)cnc2ccc(I)cc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.39
LRRK2 Q5S007 1/20 0.39
XDH P47989 3/20 0.37
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
EGFR P00533 4/20 0.34
ERBB2 P04626 1/20 0.34
PRKDC P78527 2/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 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
SCHEMBL3887019 0.85 SRC (0.43) SRCLRRK2EGFRERBB2
SCHEMBL13955657 0.84 SRC (0.44) SRCLRRK2XDHEGFRERBB2
SCHEMBL3879099 0.82 SRC (0.43) SRCEGFRERBB2
SCHEMBL3882562 0.82 SRC (0.39) SRCLRRK2XDHEGFRERBB2
SCHEMBL3896435 0.82 SRC (0.42) SRCLRRK2EGFR
SCHEMBL3891428 0.81 SRC (0.38) SRCLRRK2XDHMAP3K7TAB1
SCHEMBL28761682 0.81 LRRK2 (0.55) SRCLRRK2XDHMAP3K7TAB1
SCHEMBL3884874 0.81 SRC (0.38) SRCLRRK2EGFRERBB2PRKDC
SCHEMBL5504534 0.80 SRC (0.38) SRCLRRK2EGFRERBB2PRKDC
SCHEMBL3891687 0.80 GABRA1 (0.37) SRCEGFRERBB2ABCB1ABCC1

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 9 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 disclosed
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-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
CN-1976927-A Quinoline thiazolinone compound HOFFMANN LA ROCHE (CH) 2007-06-06 CN disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO 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 SRC 1014/4885LRRK2 1506/4885XDH 2801/4885

“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.