SCHEMBL686753

SCHEMBL686753

CN(C)CCNc1ccc2c(Nc3ccc(C(=O)Nc4ccccc4)cc3)ccnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 9/20 0.50
DNMT3A Q9Y6K1 7/20 0.50
DNMT3L Q9UJW3 4/20 0.50
AURKA O14965 6/20 0.45
AURKB Q96GD4 5/20 0.45
EHMT1 Q9H9B1 2/20 0.45
MYC P01106 1/20 0.45
MAP2K3 P46734 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
DNMT3B Q9UBC3 1/20 0.45
MAPK13 O15264 1/20 0.43
CHEK2 O96017 1/20 0.43
NTRK1 P04629 1/20 0.43
RET P07949 1/20 0.43
HCK P08631 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT4 P35916 1/20 0.43
LIMK1 P53667 1/20 0.43
SIK1 P57059 1/20 0.43
TNK2 Q07912 1/20 0.43

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
SCHEMBL13553269 0.95 DNMT1 (0.48) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL683733 0.83 DNMT1 (0.50) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL683853 0.83 DNMT1 (0.49) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL682916 0.78 DNMT1 (0.60) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL678697 0.75 DNMT1 (0.58) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL682918 0.73 MCHR1 (0.49) DNMT1DNMT3ADNMT3LAURKAAURKB
SCHEMBL684429 0.72 MCHR1 (0.54) DNMT1DNMT3ADNMT3L
SCHEMBL3454444 0.71 AURKA (0.66) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3454464 0.71 AURKA (0.66) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL12639295 0.71 DNMT1 (0.65) DNMT1DNMT3ADNMT3LAURKAAURKB

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 2 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
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 DNMT1 1209/4885DNMT3A 2101/4885DNMT3L 2202/4885

“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.