SCHEMBL683841

SCHEMBL683841

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Nc2ccnc3[nH]c(=O)ccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
AURKA O14965 9/20 0.48
AURKB Q96GD4 6/20 0.48
MAPK13 O15264 1/20 0.48
CHEK2 O96017 1/20 0.48
NTRK1 P04629 1/20 0.48
RET P07949 1/20 0.48
HCK P08631 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT4 P35916 1/20 0.48
LIMK1 P53667 1/20 0.48

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
SCHEMBL679078 0.94 MEN1 (0.51) LMNANPC1RAB9AKDM4EMEN1
SCHEMBL678608 0.88 DNMT1 (0.54) MAPK1KMT2AAURKAAURKBMAPK13
SCHEMBL683837 0.88 DNMT1 (0.54) MAPK1KMT2AAURKAAURKBMAPK13
SCHEMBL682914 0.85 RXFP1 (0.46) POLBNPC1RAB9AKDM4EMAPT
SCHEMBL683732 0.85 AURKA (0.48) LMNAMEN1KMT2AAURKAAURKB
SCHEMBL679214 0.84 AURKA (0.64) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL678601 0.84 DNMT1 (0.53) NPC1RAB9AMEN1KMT2AAURKA
SCHEMBL678875 0.84 AURKA (0.67) POLBMEN1KMT2AAURKAAURKB
SCHEMBL679112 0.84 AURKA (0.67) NPC1RAB9AAURKAAURKBMAPK13
SCHEMBL682903 0.84 AURKA (0.67) NPC1RAB9AAURKAAURKBMAPK13

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 LMNA 1303/4885POLB 435/4885MAPK1 394/4885

“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.