SCHEMBL678865

SCHEMBL678865

O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)ccc23)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.61
TYK2 P29597 10/20 0.55
JAK2 O60674 9/20 0.55
JAK1 P23458 6/20 0.55
AURKB Q96GD4 8/20 0.52
CYP3A4 P08684 1/20 0.49
MAPK13 O15264 1/20 0.47
CHEK2 O96017 1/20 0.47
NTRK1 P04629 1/20 0.47
RET P07949 1/20 0.47
HCK P08631 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT4 P35916 1/20 0.47
LIMK1 P53667 1/20 0.47
SIK1 P57059 1/20 0.47
TNK2 Q07912 1/20 0.47
WNK3 Q9BYP7 1/20 0.47
CDK9 P50750 1/20 0.45
JAK3 P52333 1/20 0.45
DNMT1 P26358 1/20 0.45

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
SCHEMBL679458 0.87 AURKA (0.69) AURKATYK2JAK2JAK1AURKB
SCHEMBL683732 0.85 AURKA (0.48) AURKATYK2AURKBMAPK13CHEK2
SCHEMBL683837 0.83 DNMT1 (0.54) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL678608 0.83 DNMT1 (0.54) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL677593 0.83 AURKA (0.68) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL679078 0.83 MEN1 (0.51) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL679214 0.82 AURKA (0.64) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL678106 0.82 JAK2 (0.52) AURKATYK2JAK2JAK1AURKB
SCHEMBL6524940 0.81 AURKA (0.77) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL683841 0.81 LMNA (0.51) AURKAAURKBMAPK13CHEK2NTRK1

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 1/4885TYK2 47/4885JAK2 679/4885

“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.