SCHEMBL6078431

SCHEMBL6078431

CCn1nc(C(=O)N(C)OC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
LMNA P02545 2/20 0.35
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APAF1 O14727 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL6079255 0.84 AURKA (0.33) AURKARPS6KB1ALDH1A1KDM4EHPGD
SCHEMBL5818031 0.81 PTGER1 (0.47) AURKARPS6KB1GAARAB9AMEN1
SCHEMBL1091718 0.80 BAZ2B (0.51) LMNAALDH1A1KDM4EGAARAB9A
SCHEMBL21332671 0.79 HDAC3 (0.47) GAARAB9AMEN1KMT2A
SCHEMBL9201826 0.78 AURKA (0.56) AURKARPS6KB1LMNAEPHX2ALDH1A1
SCHEMBL2360638 0.75 AURKA (0.60) AURKARPS6KB1LMNAALDH1A1KDM4E
SCHEMBL6078641 0.75 AURKA (0.56) AURKARPS6KB1LMNAEPHX2ALDH1A1
SCHEMBL1234127 0.74 AURKA (0.52) AURKARPS6KB1ALDH1A1KDM4EGAA
SCHEMBL22090240 0.74 AURKA (0.59) AURKARPS6KB1LMNAEPHX2ALDH1A1
SCHEMBL1232406 0.74 AURKA (0.55) AURKARPS6KB1LMNAEPHX2ALDH1A1

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 AURKA 2407/4885RPS6KB1 143/4885LMNA 2604/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 AURKA 2595/4885RPS6KB1 113/4885LMNA 2380/4885

“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.