SCHEMBL3880256

SCHEMBL3880256

N#Cc1cnc2ccc(I)cc2c1OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36
SRC P12931 4/20 0.36
LRRK2 Q5S007 1/20 0.33
PARP1 P09874 1/20 0.31
EGFR P00533 6/20 0.31
ERBB2 P04626 3/20 0.31
PRKDC P78527 2/20 0.31
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
CHRM4 P08173 2/20 0.31
RAF1 P04049 1/20 0.31
MAP2K1 Q02750 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
SCHEMBL13955657 0.83 SRC (0.44) SRCLRRK2PARP1EGFRERBB2
SCHEMBL3892644 0.82 SRC (0.36) SRCLRRK2EGFRERBB2PRKDC
SCHEMBL3891687 0.81 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3884874 0.80 SRC (0.38) SRCLRRK2PARP1EGFRERBB2
SCHEMBL5512544 0.80 SRC (0.36) SRCLRRK2PARP1EGFRERBB2
SCHEMBL3887019 0.76 SRC (0.43) SRCLRRK2EGFRERBB2RAF1
SCHEMBL5504534 0.76 SRC (0.38) SRCLRRK2EGFRERBB2PRKDC
SCHEMBL3882562 0.76 SRC (0.39) SRCLRRK2PARP1EGFRERBB2
SCHEMBL3883564 0.76 SRC (0.39) SRCLRRK2EGFRERBB2PRKDC
SCHEMBL3896435 0.73 SRC (0.42) SRCLRRK2EGFRRAF1MAP2K1

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 6 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
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 GABRA1 4771/4885GABRG2 4695/4885GABRB3 4488/4885

“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.