SCHEMBL6016495

SCHEMBL6016495

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 13/20 0.40
ITGB6 P18564 13/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB5 P18084 1/20 0.40
ITGB8 P26012 1/20 0.40
MTOR P42345 1/20 0.34
HTR2C P28335 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
NSD2 O96028 1/20 0.32

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 0.86 ITGAV (0.44) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL6016500 0.85 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL275460 0.82 ITGAV (0.52) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL8350656 0.81 ITGAV (0.47) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL275631 0.81 ITGAV (0.47) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL6016358 0.79 ITGB3 (0.50) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL277546 0.77 ITGAV (0.62) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL5584350 0.77 ITGAV (0.62) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL27474218 0.77 KMT2A (0.39) HTR2CHRH4
SCHEMBL4640715 0.77 KMT2A (0.39) HTR2CHRH4

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 7 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 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 ITGAV 181/4885ITGB6 55/4885ITGB3 83/4885

“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.