SCHEMBL2231372

SCHEMBL2231372

CCc1c(Cl)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB5 P18084 1/20 0.40
ITGB6 P18564 1/20 0.40
ITGB8 P26012 1/20 0.40
RPS6KB1 P23443 16/20 0.39
AKT1 P31749 16/20 0.39
AKT1S1 Q96B36 2/20 0.35
SLC9A1 P19634 1/20 0.34

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
SCHEMBL2233704 0.93 ITGAV (0.39) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2234185 0.90 ITGAV (0.40) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13848544 0.89 ITGB3 (0.42) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL8354533 0.89 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2231362 0.89 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2232307 0.85 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12348224 0.83 ITGAV (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL275906 0.83 ITGAV (0.40) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12348309 0.81 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL2232298 0.79 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070914-B1 New antagonist derivatives of the vitronectin receptor, method for their preparation, their application as medicine and pharmaceutical compositions containing them GALAPAGOS SAS (FR) 2011-08-03 EP disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
EP-2070914-A1 New antagonist derivatives of the vitronectin receiver, method for preparing same, application of same as medicine and pharmaceutical compositions containing them Galapagos SAS (FR) 2009-06-17 EP disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
EP-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP disclosed
US-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS NV (BE) 2006-03-09 US disclosed
WO-2004048375-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PROSKELIA SAS (FR) 2004-06-10 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 (2 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-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ITGB3 244/4885ITGB1 146/4885ITGAV 206/4885
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ITGB3 244/4885ITGB1 146/4885ITGAV 206/4885

“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.