SCHEMBL4472434

SCHEMBL4472434

CCc1nn(C)c(N2CCOCC2)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3CA P42336 2/20 0.33
PDE2A O00408 1/20 0.32
NUDT1 P36639 1/20 0.32
MTOR P42345 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
SCHEMBL2256173 0.80 HTT (0.44) GAASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL4469941 0.75 HTT (0.47) GAASMN1; SMN2ALDH1A1L3MBTL1HSD17B10
SCHEMBL13627230 0.75 GAA (0.39) GAASMN1; SMN2MAPK1ALDH1A1L3MBTL1
SCHEMBL2931596 0.67 GAA (0.40) GAASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL29956755 0.67 GAA (0.36) GAAMEN1KMT2A
SCHEMBL19719534 0.64 SMN1; SMN2 (0.44) GAASMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL1076002 0.63 KDM4E (0.40) GAASMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL13457980 0.62 PIK3R1 (0.42) GAASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL13683097 0.62 SMN1; SMN2 (0.56) GAASMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL6958083 0.62 ALDH1A1 (0.38) GAASMN1; SMN2MAPK1ALDH1A1L3MBTL1

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-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
EP-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 US disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 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 (3 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT GAA 320/4885SMN1; SMN2 3606/4885MAPK1 3744/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT GAA 320/4885SMN1; SMN2 3606/4885MAPK1 3744/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT GAA 320/4885SMN1; SMN2 3606/4885MAPK1 3744/4885

“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.