SCHEMBL678852

SCHEMBL678852

CN(C)CCNC(=O)c1c(-c2ccccc2)c2c(N(NC(=O)c3ccc(F)c(F)c3)c3ccccc3)ccnc2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.40
AURKB Q96GD4 2/20 0.40
PARP1 P09874 2/20 0.37
CDC7 O00311 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
FYN P06241 1/20 0.35
CHUK O15111 2/20 0.34
PLD1 Q13393 2/20 0.34
PLD2 O14939 1/20 0.34
CCNE1 P24864 1/20 0.34
INSR P06213 1/20 0.34
MAPK8 P45983 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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 0.92 AURKA (0.41) AURKAAURKBFYNPLD1PLD2
SCHEMBL678419 0.87 AURKA (0.45) AURKAAURKB
SCHEMBL679501 0.86 AURKA (0.39) AURKAAURKBPLD1PLD2
SCHEMBL678661 0.82 AURKA (0.40) AURKAAURKB
SCHEMBL686499 0.82 AURKA (0.61) AURKAAURKB
SCHEMBL677853 0.82 AURKA (0.43) AURKAAURKB
SCHEMBL679211 0.81 AURKA (0.40) AURKAAURKBFYNPLD1PLD2
SCHEMBL679502 0.80 AURKA (0.38) AURKAAURKBIKBKB
SCHEMBL679212 0.77 AURKA (0.39) AURKAAURKB
SCHEMBL678853 0.71 GRM5 (0.31)

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 3/4885PARP1 796/4885

“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.