SCHEMBL3883306

SCHEMBL3883306

Cc1c(C#N)cnc2ccc(I)cc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.42
LRRK2 Q5S007 6/20 0.39
PARP1 P09874 1/20 0.38
TYMS P04818 1/20 0.36
EGFR P00533 6/20 0.36
ERBB2 P04626 6/20 0.36
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
CHRM4 P08173 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
SCHEMBL3881744 0.81 SRC (0.40) SRCLRRK2PARP1EGFRERBB2
SCHEMBL2632169 0.81 SRC (0.44) SRCLRRK2PARP1EGFRERBB2
SCHEMBL4745808 0.81 EGFR (0.43) SRCLRRK2EGFRERBB2
SCHEMBL24009012 0.78 MAP2K1 (0.56) SRCEGFRERBB2RAF1MAP2K1
SCHEMBL3887019 0.78 SRC (0.43) SRCLRRK2EGFRERBB2RAF1
SCHEMBL3880868 0.78 SRC (0.38) SRCLRRK2PARP1EGFRERBB2
SCHEMBL3881477 0.78 SRC (0.36) SRCLRRK2PARP1EGFRERBB2
SCHEMBL3886350 0.77 ALDH1A1 (0.39) SRCLRRK2EGFRERBB2
SCHEMBL13955657 0.77 SRC (0.44) SRCLRRK2PARP1EGFRERBB2
SCHEMBL3883610 0.77 SRC (0.38) SRCLRRK2PARP1EGFRERBB2

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
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 1506/4885PARP1 267/4885

“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.