SCHEMBL679211

SCHEMBL679211

O=C(Cc1c(-c2ccccc2)c2c(N(NC(=O)c3ccc(F)c(F)c3)c3ccccc3)ccnc2[nH]c1=O)NCCO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.40
AURKB Q96GD4 2/20 0.40
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
AR P10275 2/20 0.32
BUB1 O43683 2/20 0.32
PLD1 Q13393 2/20 0.32
PLD2 O14939 1/20 0.32
THRB P10828 1/20 0.32
MAT2A P31153 1/20 0.31
ROCK2 O75116 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
FYN P06241 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL677853 0.90 AURKA (0.43) AURKAAURKBABL1BCRAR
SCHEMBL678660 0.89 AURKA (0.41) AURKAAURKBABL1BCRAR
SCHEMBL678419 0.82 AURKA (0.45) AURKAAURKBARBUB1
SCHEMBL679502 0.75 AURKA (0.38) AURKAAURKBARBUB1
SCHEMBL679212 0.75 AURKA (0.39) AURKAAURKBARBUB1
SCHEMBL686812 0.65 AURKA (0.59) AURKAAURKB
SCHEMBL678853 0.65 GRM5 (0.31) BUB1
SCHEMBL678780 0.62 AURKA (0.72) AURKAAURKB
SCHEMBL13553241 0.61 AURKA (0.61) AURKAAURKB
SCHEMBL3513763 0.60 HPGD (0.60) ABL1BCRKDM4EALDH1A1HPGD

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 3/4885ABL1 166/4885

“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.