SCHEMBL679702

SCHEMBL679702

CN(C)C(C(N)=O)c1nc(Nc2ccc(NC(=O)c3ccccc3)cc2)c2cc(C(=O)O)c(=O)[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 9/20 0.41
EGFR P00533 2/20 0.41
AURKA O14965 8/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK13 O15264 1/20 0.39
CHEK2 O96017 1/20 0.39
NTRK1 P04629 1/20 0.39
RET P07949 1/20 0.39
HCK P08631 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT4 P35916 1/20 0.39
LIMK1 P53667 1/20 0.39
SIK1 P57059 1/20 0.39
TNK2 Q07912 1/20 0.39
WNK3 Q9BYP7 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
INCENP Q9NQS7 1/20 0.38
KDR P35968 1/20 0.38
SYK P43405 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL678061 0.77 AURKB (0.64) AURKBEGFRAURKARPS6KB1MAPK13
SCHEMBL678217 0.70 AURKB (0.59) AURKBEGFRAURKARPS6KB1INCENP
SCHEMBL686666 0.69 AURKB (0.52) AURKBEGFRAURKARPS6KB1MAPK13
SCHEMBL18330583 0.61 PTPN1 (0.77) SIRT2KMT2A
SCHEMBL9479686 0.59 SIRT1 (0.78) KMT2AHDAC6
SCHEMBL9480256 0.59 SIRT1 (0.78) KMT2AHDAC6
SCHEMBL126415 0.59 PTPN1 (0.87) KMT2AHDAC6
SCHEMBL26785533 0.59 AURKB (1.00) AURKBEGFRAURKARPS6KB1RET
SCHEMBL27726253 0.58 NPC1 (0.58) ROCK2ROCK1KMT2A
SCHEMBL7790555 0.58 PTPN1 (0.71) KMT2A

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 3 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 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 AURKB 3/4885EGFR 1241/4885AURKA 1/4885

“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.