SCHEMBL684133

SCHEMBL684133

O=C(Nc1ccccc1)c1ccc(Nc2ccnc3nc(OCCN4CCCC4)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
EGFR P00533 1/20 0.49
MCHR1 Q99705 6/20 0.49
DNMT1 P26358 4/20 0.48
DNMT3A Q9Y6K1 3/20 0.48
DNMT3L Q9UJW3 1/20 0.48
ASF1A Q9Y294 1/20 0.45
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
BRD4 O60885 1/20 0.45
JAK1 P23458 1/20 0.45
HDAC1 Q13547 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
PIR O00625 1/20 0.43
BRAF P15056 1/20 0.43
GSK3B P49841 1/20 0.43
HSF1 Q00613 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 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
SCHEMBL678878 0.97 KDR (0.52) KDREGFRMCHR1DNMT1DNMT3A
SCHEMBL684431 0.92 KDR (0.48) KDREGFRDNMT1DNMT3ADNMT3L
SCHEMBL678873 0.90 KDR (0.50) KDREGFRDNMT1DNMT3ADNMT3L
SCHEMBL683734 0.88 EGFR (0.52) KDREGFRDNMT1DNMT3ADNMT3L
SCHEMBL678913 0.85 KDR (0.55) KDREGFRABL1BCRHDAC1
SCHEMBL683733 0.83 DNMT1 (0.50) KDRMCHR1DNMT1DNMT3ADNMT3L
SCHEMBL683853 0.82 DNMT1 (0.49) KDREGFRMCHR1DNMT1DNMT3A
SCHEMBL682916 0.76 DNMT1 (0.60) DNMT1DNMT3ADNMT3LHDAC1
SCHEMBL678697 0.73 DNMT1 (0.58) DNMT1DNMT3ADNMT3LHDAC1
SCHEMBL682918 0.71 MCHR1 (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 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 KDR 2896/4885EGFR 1241/4885MCHR1 4277/4885

“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.