SCHEMBL684429

SCHEMBL684429

CN(C)C1CCN(c2ccc3c(Nc4ccc(C(=O)Nc5ccccc5)cc4)ccnc3n2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.54
DNMT1 P26358 3/20 0.46
DNMT3A Q9Y6K1 2/20 0.46
DNMT3L Q9UJW3 1/20 0.46
ATR Q13535 2/20 0.44
KCNH2 Q12809 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL678922 0.97 MCHR1 (0.53) MCHR1DNMT1DNMT3ADNMT3LATR
SCHEMBL682918 0.95 MCHR1 (0.49) MCHR1DNMT1DNMT3ADNMT3LATR
SCHEMBL12529830 0.76 MCHR1 (0.89) MCHR1
SCHEMBL682916 0.74 DNMT1 (0.60) DNMT1DNMT3ADNMT3L
SCHEMBL12529621 0.74 MCHR1 (0.89) MCHR1
SCHEMBL12547879 0.73 MCHR1 (0.87) MCHR1
SCHEMBL686753 0.72 DNMT1 (0.50) DNMT1DNMT3ADNMT3L
SCHEMBL683733 0.72 DNMT1 (0.50) MCHR1DNMT1DNMT3ADNMT3L
SCHEMBL12531078 0.72 MCHR1 (0.74) MCHR1
SCHEMBL683853 0.71 DNMT1 (0.49) MCHR1DNMT1DNMT3ADNMT3L

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 3 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 disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US 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.