SCHEMBL12686207

SCHEMBL12686207

COc1cnn(-c2c(O)c3cc(I)c(Cl)cc3[nH]c2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
EGLN1 Q9GZT9 3/20 0.34
MAPT P10636 2/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL12686092 0.86 FASN (0.38) FASNGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12686166 0.85 FASN (0.39) FASNGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12686095 0.82 EGLN1 (0.47) EGLN1
SCHEMBL12686281 0.80 PRKAG1 (0.52) FASNGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12685947 0.77 PRKAG1 (0.46) FASNMAPTACHE
SCHEMBL12686188 0.77 PRKAG1 (0.44) FASN
SCHEMBL12686158 0.77 GRIN2D (0.39) FASNGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12686411 0.77 GRIN2D (0.39) FASNGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12686230 0.74 GRIN2D (0.39) FASNGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12686427 0.73 GRIN2D (0.37) FASNGRIN1GRIN2AGRIN2DGRIN3B

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
US-9855260-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2018-01-02 US disclosed
US-9855260-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2018-01-02 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
WO-2012119978-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2012-09-13 WO 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-20150238480-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 FASN 745/4885GRIN1 1700/4885GRIN2A 1274/4885

“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.