SCHEMBL679501

SCHEMBL679501

O=C(NN(c1ccccc1)c1ccnc2[nH]c(=O)c(C(=O)NC[C@H](O)CO)c(-c3ccccc3)c12)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.39
AURKB Q96GD4 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CNR2 P34972 1/20 0.35
MAPK14 Q16539 3/20 0.34
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
KDR P35968 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
AR P10275 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
PLD1 Q13393 2/20 0.32
BUB1 O43683 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32

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
SCHEMBL678660 0.89 AURKA (0.41) AURKAAURKBKDM4EALDH1A1HPGD
SCHEMBL678419 0.87 AURKA (0.45) AURKAAURKBARBUB1
SCHEMBL679502 0.82 AURKA (0.38) AURKAAURKBARBUB1
SCHEMBL678661 0.81 AURKA (0.40) AURKAAURKBKDM4EALDH1A1AR
SCHEMBL13553241 0.81 AURKA (0.61) AURKAAURKB
SCHEMBL677853 0.81 AURKA (0.43) AURKAAURKBARBUB1ABL1
SCHEMBL679211 0.80 AURKA (0.40) AURKAAURKBKDM4EALDH1A1HPGD
SCHEMBL679212 0.76 AURKA (0.39) AURKAAURKBARBUB1
SCHEMBL13553233 0.70 AURKA (0.65) AURKAAURKB
SCHEMBL678853 0.69 GRM5 (0.31) BUB1

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 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
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

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 3/4885KDM4E 1019/4885

“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.