SCHEMBL683734

SCHEMBL683734

O=C(Nc1ccccc1)c1ccc(Nc2ccnc3nc(OCCCN4CCOCC4)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.52
KDR P35968 5/20 0.52
AURKA O14965 2/20 0.52
ROCK2 O75116 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
RET P07949 1/20 0.52
MET P08581 1/20 0.52
MAPT P10636 1/20 0.52
SRC P12931 1/20 0.52
PDGFRA P16234 1/20 0.52
LTK P29376 1/20 0.52
TTK P33981 1/20 0.52
MAP2K2 P36507 1/20 0.52
MAP2K1 Q02750 1/20 0.52
BTK Q06187 1/20 0.52
TYRO3 Q06418 1/20 0.52
TNK2 Q07912 1/20 0.52
NTRK2 Q16620 1/20 0.52

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
SCHEMBL678913 0.97 KDR (0.55) EGFRKDRAURKAROCK2ALDH1A1
SCHEMBL684431 0.96 KDR (0.48) EGFRKDRAURKAROCK2ALDH1A1
SCHEMBL678873 0.93 KDR (0.50) EGFRKDRAURKAROCK2ALDH1A1
SCHEMBL684133 0.88 KDR (0.49) EGFRKDRABL1BCRHDAC1
SCHEMBL678878 0.85 KDR (0.52) EGFRKDRAURKARETTNK2
SCHEMBL683853 0.81 DNMT1 (0.49) EGFRKDRAURKARETTNK2
SCHEMBL683733 0.80 DNMT1 (0.50) KDRAURKARETTNK2AURKB
SCHEMBL25608267 0.75 EGFR (0.70) EGFRKDRAURKAROCK2ALDH1A1
SCHEMBL31174709 0.74 EPHX2 (0.79) KDRALDH1A1EPHX2
SCHEMBL682916 0.73 DNMT1 (0.60) AURKARETTNK2AURKBHDAC1

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 EGFR 1241/4885KDR 2896/4885AURKA 1/4885

“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.