SCHEMBL3880280

SCHEMBL3880280

CC(C)CSc1c(C#N)cnc2ccc(I)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.38
SRC P12931 2/20 0.36
ENPP1 P22413 1/20 0.36
EGFR P00533 3/20 0.33
PRKDC P78527 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NMT1 P30419 1/20 0.32
MAPK1 P28482 1/20 0.32
PARP1 P09874 1/20 0.31
XDH P47989 1/20 0.31
ERBB2 P04626 1/20 0.31
AR P10275 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
SCHEMBL3882256 0.86 PKM (0.39) LRRK2SRCENPP1NMT1MAPK1
SCHEMBL3889774 0.83 LRRK2 (0.40) LRRK2SRCENPP1EGFRPRKDC
SCHEMBL3881744 0.83 SRC (0.40) LRRK2SRCENPP1EGFRPRKDC
SCHEMBL3891360 0.82 ENPP1 (0.36) LRRK2SRCENPP1EGFRPRKDC
SCHEMBL3880124 0.81 ENPP1 (0.44) SRCENPP1NMT1MAPK1AR
SCHEMBL3881730 0.79 ENPP1 (0.41) SRCENPP1NMT1PARP1
SCHEMBL3883610 0.78 SRC (0.38) LRRK2SRCENPP1EGFRPRKDC
SCHEMBL3883564 0.76 SRC (0.39) LRRK2SRCEGFRPRKDCXDH
SCHEMBL3883306 0.74 SRC (0.42) LRRK2SRCEGFRPARP1ERBB2
SCHEMBL3883979 0.74 ENPP1 (0.40) SRCENPP1NMT1AR

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 7 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
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
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 LRRK2 1506/4885SRC 1014/4885ENPP1 3797/4885

“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.