SCHEMBL4473970

SCHEMBL4473970

CCOC(OCC)c1nc(-c2cccc(C)n2)nn1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
TGFBR1 P36897 14/20 0.36
TGFBR2 P37173 5/20 0.36
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL4474430 0.81 KDM4E (0.44) KDM4EALDH1A1HTTRECQL
SCHEMBL4478677 0.74 CSNK1D (0.41) KDM4EALDH1A1HTT
SCHEMBL4465923 0.73 CYP2D6 (0.34) MAPK14KDM4EADORA2AHTTRECQL
SCHEMBL10690799 0.68 CCR1 (0.47) CCR1CCR8TGFBR1TGFBR2MAPK14
SCHEMBL4486939 0.67 CCR1 (0.46) CCR1CCR8TGFBR1TGFBR2MAPK14
SCHEMBL4468032 0.66
SCHEMBL10690694 0.66 KCNH2 (0.35) TGFBR1
Hydrochloric Acid SCHEMBL4465754 0.65 CCR1 (0.43) CCR1CCR8TGFBR1TGFBR2MAPK14
SCHEMBL19806693 0.64 CCR1 (0.42) CCR1CCR8TGFBR1MAPK14KDM4E
SCHEMBL9822676 0.64 KCNH2 (0.43) TGFBR1

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 16 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-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-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-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-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 CCR1 813/4885CCR8 1502/4885TGFBR1 4751/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT CCR1 813/4885CCR8 1502/4885TGFBR1 4751/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT CCR1 813/4885CCR8 1502/4885TGFBR1 4751/4885

“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.