SCHEMBL6078075

SCHEMBL6078075

CC(=O)c1cc(C)n(CCOC(=O)Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
PTGER1 P34995 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLS O94925 1/20 0.33

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
SCHEMBL6078187 0.83 CNR1 (0.45) TSHRAURKARPS6KB1KDM4EHPGD
SCHEMBL6078318 0.83 TSHR (0.39) TSHRAURKARPS6KB1KDM4ELMNA
SCHEMBL6078083 0.78 KDM4E (0.42) AURKARPS6KB1KDM4ELMNAMEN1
SCHEMBL6077004 0.76 DUT (0.35) TSHRAURKARPS6KB1KDM4ECNR1
SCHEMBL6078641 0.74 AURKA (0.56) AURKARPS6KB1KDM4ELMNAMEN1
SCHEMBL6082989 0.74 KDM4E (0.40) AURKARPS6KB1KDM4ELMNAMEN1
SCHEMBL22844156 0.73 AURKA (0.41) AURKARPS6KB1KDM4ELMNAMEN1
SCHEMBL27771434 0.72 KDM4E (0.55) TSHRKDM4EHPGDLMNAPOLB
SCHEMBL6079097 0.71 GRN (0.49) TSHRAURKARPS6KB1KDM4EMEN1
SCHEMBL19616009 0.71 CNR1 (0.42) TSHRAURKARPS6KB1KDM4EHPGD

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
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

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 TSHR 4511/4885AURKA 2407/4885RPS6KB1 143/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 TSHR 4670/4885AURKA 2595/4885RPS6KB1 113/4885

“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.