SCHEMBL328138

SCHEMBL328138

CCc1c(NCC(NC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.49
ITGB6 P18564 12/20 0.49
ITGB3 P05106 5/20 0.49
ITGA5 P08648 3/20 0.49
ITGB1 P05556 2/20 0.49
ITGB5 P18084 1/20 0.49
ITGB8 P26012 1/20 0.49
KIF11 P52732 1/20 0.40
ITGA2B P08514 2/20 0.39
PAK1 Q13153 1/20 0.38
RPS6KB1 P23443 2/20 0.38
AKT1 P31749 2/20 0.38

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
SCHEMBL5584195 1.00 ITGAV (0.49) ITGAVITGB6ITGB3ITGA5ITGB1
SCHEMBL328200 0.92 ITGAV (0.44) ITGAVITGB6ITGB3ITGA5ITGB1
SCHEMBL8268188 0.91 ITGAV (0.52) ITGAVITGB6ITGB3ITGA5ITGB1
SCHEMBL327985 0.91 ITGAV (0.52) ITGAVITGB6ITGB3ITGA5ITGB1
SCHEMBL327990 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGA5ITGB1
SCHEMBL328067 0.88 ITGAV (0.51) ITGAVITGB6ITGB3ITGA5ITGB1
SCHEMBL328203 0.86 ITGAV (0.48) ITGAVITGB6ITGB3ITGA5ITGB1
SCHEMBL328186 0.86 ITGAV (0.60) ITGAVITGB6ITGB3ITGA5ITGB1
SCHEMBL2450787 0.86 ITGAV (0.60) ITGAVITGB6ITGB3ITGA5ITGB1
SCHEMBL13237287 0.85 ITGAV (0.64) ITGAVITGB6ITGB3ITGA5ITGB1

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-8133896-B2 Pyrimidine derivatives which are antagonist of the vitronectin receptor GALAPAGOS NV (BE) 2012-03-13 US disclosed
US-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR GALAPAGOS SAS 2011-02-17 US 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-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 ITGAV 492/4885ITGB6 376/4885ITGB3 273/4885

“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.