SCHEMBL6078641

SCHEMBL6078641

CCn1nc(C(C)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.56
RPS6KB1 P23443 1/20 0.56
LMNA P02545 2/20 0.42
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.38
APAF1 O14727 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2360638 0.85 AURKA (0.60) AURKARPS6KB1LMNAALDH1A1KDM4E
SCHEMBL22844156 0.83 AURKA (0.41) AURKARPS6KB1LMNAALDH1A1KDM4E
SCHEMBL1232406 0.83 AURKA (0.55) AURKARPS6KB1LMNAEPHX2ALDH1A1
SCHEMBL22090240 0.83 AURKA (0.59) AURKARPS6KB1LMNAEPHX2ALDH1A1
SCHEMBL6078083 0.81 KDM4E (0.42) AURKARPS6KB1LMNAALDH1A1KDM4E
SCHEMBL25972032 0.81 AURKA (0.42) AURKARPS6KB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10274855 0.80 AURKA (0.64) AURKARPS6KB1LMNAEPHX2ALDH1A1
SCHEMBL1234127 0.80 AURKA (0.52) AURKARPS6KB1ALDH1A1KDM4EPOLB
SCHEMBL6077710 0.79 AURKA (0.38) AURKARPS6KB1LMNASMN1; SMN2ADORA2A
SCHEMBL6996753 0.79 AURKA (0.67) 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 12 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
WO-2005066173-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED AZETIDINONE GLAXO GROUP LIMITED (GB) 2005-07-21 WO 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
CN-1185783-A Esters of carbapenems SMITHKLINE BEECHAM PLC (GB) 1998-06-24 CN disclosed
CN-1184480-A Esters of carbapenems SMITHKLINE BEECHAM PLC (GB) 1998-06-10 CN disclosed
EP-0823911-A1 ESTERS OF CARBAPENEMS SMITHKLINE BEECHAM PLC (GB) 1998-02-18 EP disclosed
CN-1167486-A 2- (pyrazol-3-yl) carbapenem derivatives SMITHKLINE BEECHAM PLC (GB) 1997-12-10 CN 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
WO-1996034869-A1 ESTERS OF CARBAPENEMS SMITHKLINE BEECHAM PLC (GB) 1996-11-07 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 143/4885LMNA 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.