SCHEMBL5252011

SCHEMBL5252011

CCOC(=O)CC(CCCC(=O)CCc1ccc2c(n1)NCCC2)c1cnc(C)nc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.67
ITGB3 P05106 14/20 0.67
ITGA2B P08514 1/20 0.54
ITGB5 P18084 1/20 0.54
ITGB6 P18564 7/20 0.53
ITGB8 P26012 6/20 0.53

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
SCHEMBL12504017 0.91 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8
SCHEMBL14608716 0.90 ITGAV (0.66) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7431994 0.90 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7435542 0.90 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7440869 0.90 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6108253 0.88 ITGAV (0.77) ITGAVITGB3ITGB6ITGB8
SCHEMBL6108257 0.88 ITGAV (0.77) ITGAVITGB3ITGB6ITGB8
SCHEMBL5251715 0.88 ITGAV (0.63) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL5248211 0.88 ITGAV (0.63) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL5251867 0.84 ITGAV (0.56) ITGAVITGB3ITGA2BITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP claimed
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
EP-1315501-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-02-07 EP disclosed
EP-1315501-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-02-07 EP disclosed
US-7056909-B2 Alpha v integrin receptor antagonists MERCK & CO., INC. (US) 2006-06-06 US disclosed
EP-1315501-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-03-23 EP disclosed
US-20040038963-A1 Alpha v integrin receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-26 US disclosed
EP-1315501-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-06-04 EP disclosed
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
WO-2002007730-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-01-31 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-20040038963-A1 Alpha v integrin receptor antagonists ITGAV, ADGRE5, ITGB3 ITGAV 1/4885ITGB3 3/4885ITGA2B 13/4885

“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.