SCHEMBL5493771

SCHEMBL5493771

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CSNK1D P48730 1/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
BCHE P06276 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL5497817 0.95 CCNC (0.46) CCNCCDK8ALDH1A1GFERMAPKAPK2
SCHEMBL5499689 0.89 CA12 (0.38) CCNCCDK8CSNK1DALDH1A1GFER
SCHEMBL16118399 0.84 CCNC (0.40) CCNCCDK8EPHX1ALDH1A1GFER
SCHEMBL5500017 0.84 TLR7 (0.36) CSNK1DALDH1A1GFERMAPKAPK2LMNA
SCHEMBL20540627 0.82 NTRK1 (0.39) ALDH1A1LMNACA1CA2CA12
SCHEMBL6427812 0.81 NTRK1 (0.35) LMNAPOLBCA1CA2CA12
SCHEMBL15856849 0.80 NTRK1 (0.37) LMNAPOLBCA1CA2CA12
SCHEMBL16078095 0.80 L3MBTL1 (0.44) EPHX1POLBNTRK1
Hydrochloric Acid SCHEMBL5497815 0.79 NTRK1 (0.37) LMNAPOLBCA1CA2CA12
SCHEMBL20540427 0.79 CCNC (0.37) CCNCCDK8EPHX1MAPKAPK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922435-B Method for preparing ceftaroline from 7-aminocephalosporanic acid (7-ACA) 桑多斯股份公司 2022-05-17 CN disclosed
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
US-9006421-B2 Cephalosporin compositions and methods of manufacture CUBIST PHARMACEUTICALS, INC. (US) 2015-04-14 US disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
WO-2014152763-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CUBIST PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
US-20140274958-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME LLC 2014-09-18 US 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
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 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 (3 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 CCNC 731/4885CDK8 3858/4885CSNK1D 220/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CCNC 1472/4885CDK8 4233/4885CSNK1D 143/4885
US-20140274958-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CYP3A7, SEPTIN7, PEPD CCNC 1695/4885CDK8 795/4885CSNK1D 628/4885

“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.