SCHEMBL6079255

SCHEMBL6079255

CCc1cc(C(=O)N(C)OC)nn1CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MLYCD O95822 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
SCHEMBL6078431 0.84 AURKA (0.48) AURKARPS6KB1KDM4EALDH1A1HPGD
SCHEMBL6078731 0.84 CLK1 (0.31) CLK1DYRK1ADYRK1BMLYCD
SCHEMBL8921837 0.79 HCAR2 (0.32)
SCHEMBL6077710 0.76 AURKA (0.38) AURKARPS6KB1
SCHEMBL3577067 0.76 MARS1 (0.45) AURKARPS6KB1KDM4EALDH1A1
SCHEMBL31467456 0.75 TERT (0.31) CLK1DYRK1ADYRK1BALDH1A1
SCHEMBL1233269 0.74 AURKA (0.37) AURKARPS6KB1KDM4EALDH1A1HPGD
SCHEMBL1234207 0.74 MAPT (0.45) KDM4EALDH1A1
SCHEMBL1091718 0.69 BAZ2B (0.51) CLK1DYRK1ADYRK1BKDM4EALDH1A1
SCHEMBL5818031 0.69 PTGER1 (0.47) AURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 US disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 US disclosed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2002-10-10 US disclosed
US-5612477-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C 1997-03-18 US disclosed
US-5606051-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-25 US disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 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-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives DPEP1, DHPS, JMJD6 AURKA 2407/4885RPS6KB1 143/4885CLK1 2217/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 AURKA 2595/4885RPS6KB1 113/4885CLK1 1923/4885

“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.