SCHEMBL3887019

SCHEMBL3887019

CCOc1c(C#N)cnc2ccc(I)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.43
EGFR P00533 4/20 0.38
ERBB2 P04626 4/20 0.38
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
STK4 Q13043 5/20 0.35
LRRK2 Q5S007 1/20 0.35
RAF1 P04049 1/20 0.35
MAP2K1 Q02750 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 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
SCHEMBL3896435 0.88 SRC (0.42) SRCEGFRALDH1A1LRRK2RAF1
SCHEMBL3879099 0.85 SRC (0.43) SRCEGFRERBB2RAF1MAP2K1
SCHEMBL3882562 0.85 SRC (0.39) SRCEGFRERBB2LRRK2RAF1
SCHEMBL3883564 0.85 SRC (0.39) SRCEGFRERBB2LRRK2
SCHEMBL3884874 0.84 SRC (0.38) SRCEGFRERBB2LRRK2RAF1
SCHEMBL3891687 0.83 GABRA1 (0.37) SRCEGFRERBB2RAF1MAP2K1
SCHEMBL3880394 0.82 SRC (0.41) SRCEGFRERBB2RAF1MAP2K1
SCHEMBL13955657 0.82 SRC (0.44) SRCEGFRERBB2LRRK2RAF1
SCHEMBL14452563 0.81 GABRA1 (0.39) EGFRERBB2TSHRMEN1ALDH1A1
SCHEMBL5504534 0.80 SRC (0.38) SRCEGFRERBB2LRRK2RAF1

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.