SCHEMBL686486

SCHEMBL686486

Nc1cc2c(Nc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)ncnc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.54
AURKB Q96GD4 4/20 0.54
EGFR P00533 3/20 0.48
INCENP Q9NQS7 1/20 0.48
ERBB2 P04626 1/20 0.48
KCNQ3 O43525 5/20 0.47
KCNQ2 O43526 5/20 0.47
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNQ5 Q9NR82 1/20 0.45
RPS6KB1 P23443 2/20 0.44
KDR P35968 4/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL679648 0.84 AURKA (0.69) AURKAAURKBKCNQ3KCNQ2
SCHEMBL686667 0.77 AURKA (0.57) AURKAAURKBKDR
SCHEMBL678061 0.75 AURKB (0.64) AURKAAURKBEGFRINCENPRPS6KB1
SCHEMBL13553354 0.75 EGFR (0.51) EGFRERBB2KDRMEN1NPC1
SCHEMBL678591 0.74 LMNA (0.68) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL678217 0.72 AURKB (0.59) AURKAAURKBEGFRINCENPRPS6KB1
SCHEMBL678945 0.72 AURKA (0.68) AURKAAURKBKCNQ3KCNQ2
SCHEMBL3454662 0.70 AURKA (1.00) AURKAAURKB
SCHEMBL6814178 0.70 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL26784735 0.69 AURKB (0.60) AURKAAURKBEGFRINCENPERBB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885EGFR 1241/4885

“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.