SCHEMBL2965453

SCHEMBL2965453

CCOC(=O)C1CN(C(=O)OC(C)(C)C)Cc2c[nH]nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
NR1H2 P55055 3/20 0.38
MAPT P10636 2/20 0.38
PREP P48147 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAOK3 Q9H2K8 1/20 0.35
ESR2 Q92731 1/20 0.35
ADORA1 P30542 1/20 0.34

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
SCHEMBL2970151 0.85 NR1H2 (0.41) NAMPTNR1H2MAPTPREPMAPK1
SCHEMBL8214051 0.84 NR1H2 (0.40) NAMPTNR1H2MAPTPREPMAPK1
SCHEMBL8213557 0.82 NAMPT (0.35) NAMPTNR1H2PREPMAPK1ALDH1A1
SCHEMBL8220942 0.81 NAMPT (0.34) NAMPTNR1H2PREPMAPK1ALDH1A1
SCHEMBL23794838 0.80 NR1H2 (0.43) NAMPTNR1H2MAPTPREPMAPK1
SCHEMBL13221366 0.79 ALDH1A1 (0.38) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2982986 0.78 NAMPT (0.33) NAMPTNR1H2PREPTAOK3
SCHEMBL1224464 0.77 MAPT (0.48) NAMPTNR1H2MAPTPREPALDH1A1
SCHEMBL1224468 0.77 MAPT (0.48) NAMPTNR1H2MAPTPREPALDH1A1
SCHEMBL30456334 0.77 MAPT (0.48) NAMPTNR1H2MAPTPREPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781474-B2 Inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-08-24 US disclosed
US-7781474-B2 Inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-08-24 US disclosed
US-7781474-B2 Inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-08-24 US disclosed
US-20100209391-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-08-19 US disclosed
US-20100209391-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-08-19 US disclosed
US-20100209391-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-08-19 US disclosed
US-20080019942-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2008-01-24 US disclosed
US-20080019942-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2008-01-24 US disclosed
US-20080019942-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2008-01-24 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-20100209391-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF NAMPT 1834/4885NR1H2 323/4885MAPT 4374/4885
US-20080019942-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, GTF3C3 NAMPT 2134/4885NR1H2 469/4885MAPT 4509/4885

“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.