SCHEMBL6016358

SCHEMBL6016358

O=C(N[C@@H](Cn1cnc2c(N3CCC(c4ccc5c(n4)NCCC5)CC3)ncnc21)C(=O)O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.50
ITGAV P06756 20/20 0.50
ITGB5 P18084 2/20 0.43
ITGB1 P05556 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGB6 P18564 1/20 0.43
ITGB8 P26012 1/20 0.43
ITGA2B P08514 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
SCHEMBL6016567 0.92 ITGAV (0.44) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL6016464 0.84 ITGAV (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL2231336 0.83 ITGAV (0.56) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL274667 0.83 ITGAV (0.50) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL2231328 0.83 ITGAV (0.56) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL2231355 0.83 ITGAV (0.50) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL2231350 0.83 ITGAV (0.50) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL13237151 0.83 ITGAV (0.51) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL2232146 0.83 ITGAV (0.51) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL2232143 0.83 ITGAV (0.51) ITGB3ITGAVITGB5ITGB1ITGA5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210348-B9 NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2006-04-26 EP claimed
EP-1210348-B1 NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2005-09-28 EP claimed
EP-1210348-B9 NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2006-04-26 EP disclosed
EP-1210348-B1 NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2005-09-28 EP disclosed
US-20040198718-A1 Naphthyridine derivatives, processes for their preparation, their use and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2004-10-07 US disclosed
US-6743800-B1 VITRONECTIN RECEPTOR ANTAGONISTS AND INHIBITORS OF CELL ADHESION; OSTEOPOROSIS, ANGIOGENESIS INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1210348-A1 NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-06-05 EP disclosed
WO-2001002398-A1 NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-11 WO disclosed
EP-1065207-A1 Naphthyridine derivatives, processes for their preparation, their use, and pharmaceutical compositions comprising them Aventis Pharma Deutschland GmbH (DE) 2001-01-03 EP 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-20040198718-A1 Naphthyridine derivatives, processes for their preparation, their use and pharmaceutical compositions comprising them VCAM1, ADGRF1, ADGRE5 ITGB3 83/4885ITGAV 181/4885ITGB5 33/4885

“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.