SCHEMBL677356

SCHEMBL677356

O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)ccc23)cc1)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.71
AURKB Q96GD4 11/20 0.57
CHEK2 O96017 2/20 0.47
RET P07949 2/20 0.47
FLT4 P35916 2/20 0.47
LIMK1 P53667 2/20 0.47
CSF1R P07333 1/20 0.47
ABL2 P42684 1/20 0.47
BLK P51451 1/20 0.47
PIK3CA P42336 1/20 0.45
MAPK13 O15264 1/20 0.45
NTRK1 P04629 1/20 0.45
HCK P08631 1/20 0.45
FGFR1 P11362 1/20 0.45
SIK1 P57059 1/20 0.45
TNK2 Q07912 1/20 0.45
WNK3 Q9BYP7 1/20 0.45
KDR P35968 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
SCHEMBL678950 0.94 AURKA (0.62) AURKAAURKBCHEK2RETFLT4
SCHEMBL684096 0.91 AURKA (0.60) AURKAAURKBCHEK2RETFLT4
SCHEMBL677909 0.91 AURKA (0.67) AURKAAURKBCHEK2RETFLT4
SCHEMBL678595 0.88 AURKA (0.68) AURKAAURKBCHEK2RETFLT4
SCHEMBL679223 0.84 AURKA (0.70) AURKAAURKBCHEK2RETFLT4
SCHEMBL678875 0.84 AURKA (0.67) AURKAAURKBCHEK2RETFLT4
SCHEMBL6524938 0.83 AURKA (1.00) AURKAAURKBCHEK2RETFLT4
SCHEMBL683731 0.83 AURKA (0.54) AURKAAURKBCHEK2RETFLT4
SCHEMBL678881 0.83 AURKA (0.71) AURKAAURKBCHEK2RETFLT4
SCHEMBL678945 0.81 AURKA (0.68) AURKAAURKBCHEK2RETFLT4

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
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US claimed
JP-2011526912-A 2011-10-20 JP claimed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP 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
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP 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 3/4885CHEK2 129/4885

“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.