SCHEMBL3887410

SCHEMBL3887410

N#Cc1cnc2ccc(C=O)cc2c1OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APP P05067 1/20 0.33
EGFR P00533 3/20 0.32
ERBB2 P04626 2/20 0.32
RORC P51449 4/20 0.32
FGFR4 P22455 1/20 0.32
SGK1 O00141 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 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
SCHEMBL3889166 0.88 SRC (0.38) SRCALDH1A1POLBKDM4E
SCHEMBL3883366 0.84 SRC (0.41) SRCALDH1A1EGFRERBB2
SCHEMBL3892644 0.82 SRC (0.36) SRCALDH1A1POLBL3MBTL1EGFR
SCHEMBL3891687 0.81 GABRA1 (0.37) SRCEGFRERBB2RORC
SCHEMBL5504224 0.81 SRC (0.35) SRCEGFRERBB2KDM4E
SCHEMBL3882532 0.81 SRC (0.40) SRCALDH1A1
SCHEMBL3891428 0.81 SRC (0.38) SRC
SCHEMBL3892401 0.81 SRC (0.41) SRCEGFRERBB2FGFR4
SCHEMBL13955939 0.80 SRC (0.33) SRCALDH1A1POLBL3MBTL1KDM4E
SCHEMBL3880306 0.78 SRC (0.30) SRC

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 SRC 1014/4885ALDH1A1 3840/4885POLB 593/4885

“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.