SCHEMBL5493756

SCHEMBL5493756

Cn1ncc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
RAB9A P51151 2/20 0.31
MAPKAPK2 P49137 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
MAP4K4 O95819 1/20 0.30

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
SCHEMBL5494802 0.86 ITGA4 (0.36) GSK3BDYRK1AITGA4ITGB7MAPKAPK2
SCHEMBL5494797 0.86 ITGA4 (0.36) GSK3BDYRK1AITGA4ITGB7MAPKAPK2
SCHEMBL5493523 0.85 MAPKAPK2 (0.32) MAPKAPK2NR1H4
SCHEMBL3123164 0.79 SIRT5 (0.37) ITGA4ITGB7
SCHEMBL3227631 0.79 SIRT5 (0.37) ITGA4ITGB7
SCHEMBL3227645 0.79 SIRT5 (0.37) ITGA4ITGB7
SCHEMBL3123178 0.79 SIRT5 (0.37) ITGA4ITGB7
SCHEMBL3117506 0.79 SIRT5 (0.40)
SCHEMBL3117516 0.79 SIRT5 (0.40)
SCHEMBL5498909 0.78 LPAR1 (0.35) GSK3BDYRK1AITGA4ITGB7RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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 (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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 GSK3B 3672/4885DYRK1A 3303/4885ITGA4 3736/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 GSK3B 3845/4885DYRK1A 4036/4885ITGA4 3512/4885

“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.