SCHEMBL678203

SCHEMBL678203

O=C(O)Cc1cc2c(Cl)ccnc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.49
AURKA O14965 4/20 0.43
AURKB Q96GD4 1/20 0.43
EGLN1 Q9GZT9 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
AXL P30530 1/20 0.37
PRKCI P41743 1/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
CDC7 O00311 1/20 0.36
PIM1 P11309 1/20 0.36
CDK9 P50750 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL5677293 0.84 EGLN1 (0.40) EGLN1PTGS2PTGS1PIM1
SCHEMBL31145982 0.78 GRIN2D (0.41) EGLN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5677159 0.74 DAO (0.59) DAOAURKAEGLN1PTGDR2PARP1
SCHEMBL20839678 0.73 GRIN1 (0.46) DAOGRIN1AXLPRKCICDC7
SCHEMBL30239581 0.73 GRIN1 (0.46) DAOGRIN1AXLPRKCICDC7
SCHEMBL4066152 0.71 ALDH1A1 (0.44) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5676978 0.71 HRH4 (0.39) EGLN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23147720 0.70 NUDT1 (0.46) DAOAURKAAURKBAXLPRKCI
SCHEMBL13912946 0.70 DAO (0.53) DAOAURKAAURKBAXLPRKCI
SCHEMBL20840000 0.69 CCNK (0.44) DAOAXLPRKCI

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-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
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
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 DAO 2528/4885AURKA 1/4885AURKB 3/4885

“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.