SCHEMBL3880394

SCHEMBL3880394

COCCOCCOc1c(C#N)cnc2ccc(I)cc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.41
EGFR P00533 5/20 0.39
ERBB2 P04626 4/20 0.39
ABL1 P00519 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
SYK P43405 1/20 0.36
AR P10275 1/20 0.36
SSTR2 P30874 1/20 0.35
RAF1 P04049 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ENPP1 P22413 1/20 0.33

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
SCHEMBL3879099 0.96 SRC (0.43) SRCEGFRERBB2ABL1FLT1
SCHEMBL3896435 0.84 SRC (0.42) SRCEGFRRAF1MAP2K1
SCHEMBL3880916 0.83 SRC (0.39) SRCEGFRERBB2ABL1FLT1
SCHEMBL14452724 0.83 SRC (0.44) SRCEGFRERBB2ABL1FLT1
SCHEMBL3887019 0.82 SRC (0.43) SRCEGFRERBB2RAF1MAP2K1
SCHEMBL3883564 0.79 SRC (0.39) SRCEGFRERBB2
SCHEMBL3882562 0.79 SRC (0.39) SRCEGFRERBB2RAF1MAP2K1
SCHEMBL3892401 0.79 SRC (0.41) SRCEGFRERBB2ABL1FLT1
SCHEMBL3891687 0.77 GABRA1 (0.37) SRCEGFRERBB2ARRAF1
SCHEMBL13955657 0.76 SRC (0.44) SRCEGFRERBB2RAF1MAP2K1

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 8 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
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 1014/4885EGFR 1881/4885ERBB2 942/4885

“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.