SCHEMBL678872

SCHEMBL678872

Nc1ncnc(Nc2ccc(NC(=O)c3ccccc3)cc2)c1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 8/20 0.59
EGFR P00533 3/20 0.59
INCENP Q9NQS7 1/20 0.55
AURKA O14965 4/20 0.55
RPS6KB1 P23443 1/20 0.55
PRMT1 Q99873 2/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PTPN1 P18031 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
PRKDC P78527 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4998175 0.91 AURKB (0.57) AURKBEGFRINCENPAURKARPS6KB1
SCHEMBL1105415 0.91 AURKB (0.57) AURKBEGFRINCENPAURKARPS6KB1
SCHEMBL14466956 0.89 AURKB (0.58) AURKBEGFRINCENPAURKARPS6KB1
SCHEMBL1105414 0.86 EGFR (0.57) AURKBEGFRINCENPAURKARPS6KB1
SCHEMBL5001833 0.86 EGFR (0.57) AURKBEGFRINCENPAURKARPS6KB1
SCHEMBL1095423 0.84 EGFR (0.59) AURKBEGFR
SCHEMBL4734704 0.84 EGFR (0.58) AURKBEGFR
SCHEMBL1095645 0.82 EGFR (0.57) EGFRPIK3CAPIK3CGIRAK4MEN1
SCHEMBL1095618 0.80 TTBK1 (0.55) EGFRPRMT1PIK3CAPIK3CGNPC1
SCHEMBL1095638 0.79 EGFR (0.56) EGFR

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 5 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
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
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 1241/4885INCENP 438/4885

“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.