SCHEMBL678922

SCHEMBL678922

CN(C)C1CCN(c2ccc3c(Nc4ccc(NC(=O)c5ccccc5)cc4)ccnc3n2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.53
DNMT1 P26358 2/20 0.44
DNMT3A Q9Y6K1 2/20 0.44
DNMT3L Q9UJW3 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
CHEK2 O96017 1/20 0.42
NTRK1 P04629 1/20 0.42
RET P07949 1/20 0.42
HCK P08631 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT4 P35916 1/20 0.42
LIMK1 P53667 1/20 0.42
SIK1 P57059 1/20 0.42
TNK2 Q07912 1/20 0.42
AURKB Q96GD4 1/20 0.42
WNK3 Q9BYP7 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL684429 0.97 MCHR1 (0.54) MCHR1DNMT1DNMT3ADNMT3LHRH4
SCHEMBL682918 0.92 MCHR1 (0.49) MCHR1DNMT1DNMT3ADNMT3LAURKA
SCHEMBL12547879 0.75 MCHR1 (0.87) MCHR1
SCHEMBL12529621 0.74 MCHR1 (0.89) MCHR1
SCHEMBL678697 0.73 DNMT1 (0.58) DNMT1DNMT3ADNMT3LAURKAMAPK13
SCHEMBL12529830 0.72 MCHR1 (0.89) MCHR1
SCHEMBL12529966 0.72 MCHR1 (0.84) MCHR1
SCHEMBL12530429 0.71 MCHR1 (0.75) MCHR1ATR
SCHEMBL15190921 0.71 ADRA2A (0.49) MCHR1CHEK2
SCHEMBL12531078 0.71 MCHR1 (0.74) MCHR1

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 MCHR1 4277/4885DNMT1 1209/4885DNMT3A 2101/4885

“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.