SCHEMBL678419

SCHEMBL678419

O=C(NN(c1ccccc1)c1ccnc2[nH]c(=O)c(C(=O)O)c(-c3ccccc3)c12)c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.45
AURKB Q96GD4 5/20 0.45
BUB1 O43683 2/20 0.36
PADI4 Q9UM07 5/20 0.35
AR P10275 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRM5 P41594 1/20 0.34
CES1 P23141 1/20 0.33

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
SCHEMBL677853 0.87 AURKA (0.43) AURKAAURKBBUB1ARCYP11B1
SCHEMBL679502 0.85 AURKA (0.38) AURKAAURKBBUB1PADI4AR
SCHEMBL679211 0.82 AURKA (0.40) AURKAAURKBBUB1AR
SCHEMBL679212 0.81 AURKA (0.39) AURKAAURKBBUB1AR
SCHEMBL678780 0.78 AURKA (0.72) AURKAAURKB
SCHEMBL678853 0.77 GRM5 (0.31) BUB1GRM5
SCHEMBL13553241 0.66 AURKA (0.61) AURKAAURKB
SCHEMBL3454662 0.62 AURKA (1.00) AURKAAURKB
SCHEMBL7695409 0.61 PADI4 (0.36) AURKAAURKBPADI4
SCHEMBL3464852 0.60 AURKA (0.65) AURKAAURKBAR

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 4 patents. 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 claimed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO claimed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885BUB1 11/4885

“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.