SCHEMBL1663883

SCHEMBL1663883

Nc1nc2c(ncn2CC[C@H](CO)COCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.58
HPRT1 P00492 7/20 0.58
BLM P54132 2/20 0.53
TK1 P04183 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
NFKB1 P19838 1/20 0.53
VCP P55072 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HTR2A P28223 1/20 0.52
RECQL P46063 1/20 0.52
HBB P68871 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL1665922 1.00 PNP (0.58) PNPHPRT1BLMTK1MEN1
SCHEMBL10496683 0.94 PNP (0.62) PNPHPRT1BLMTK1USP2
SCHEMBL31273799 0.90 HPRT1 (0.64) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL9517549 0.87 HPRT1 (0.62) PNPHPRT1BLMTK1MEN1
Penciclovir SCHEMBL3495 0.85 TK1 (0.70) PNPHPRT1BLMTK1MEN1
SCHEMBL5930507 0.84 PNP (0.52) PNPHPRT1BLMTK1MEN1
Penciclovir SCHEMBL10414021 0.84 TK1 (0.69) PNPHPRT1BLMTK1MEN1
Penciclovir SCHEMBL7192792 0.84 TK1 (0.69) PNPHPRT1BLMTK1MEN1
Penciclovir SCHEMBL583037 0.84 TK1 (0.69) PNPHPRT1BLMTK1MEN1
SCHEMBL12800327 0.83 TK1 (0.60) PNPHPRT1BLMTK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281470-A1 Use of (R)-Penciclovir Triphosphate for the Manufacture of a Medicament for the Treatment of Viral Diseases NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20110092458-A1 Use of (R)-Penciclovir Triphosphate for the Manufacture of a Medicament for the Treatment of Viral Diseases NOVARTIS PHARMACEUTICALS CORPORATION 2011-04-21 US disclosed
US-7045525-B1 Use of (R)-peniciclovir triphosphate for the manufacture of a medicament for the treatment of viral diseases NOVARTIS AG (CH) 2006-05-16 US disclosed
US-20060069108-A1 Use of (R)-penciclovir triphosphate for the manufacture of a medicament for the treatment of viral diseases NOVARTIS PHARMACEUTICALS CORPORATION 2006-03-30 US disclosed
EP-0822817-B1 USE OF (R)-PENCICLOVIR TRIPHOSPHATE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VIRAL DISEASES NOVARTIS INT PHARM LTD (BM) 2003-07-23 EP disclosed
EP-0822817-A1 USE OF (R)-PENCICLOVIR TRIPHOSPHATE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VIRAL DISEASES SMITHKLINE BEECHAM PLC (GB) 1998-02-11 EP disclosed
WO-1996033720-A1 USE OF (R)-PENCICLOVIR TRIPHOSPHATE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VIRAL DISEASES SMITHKLINE BEECHAM PLC (GB) 1996-10-31 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-20110092458-A1 Use of (R)-Penciclovir Triphosphate for the Manufacture of a Medicament for the Treatment of Viral Diseases TYMP, PNP, HPRT1 PNP 2/4885HPRT1 3/4885BLM 1770/4885
US-20130281470-A1 Use of (R)-Penciclovir Triphosphate for the Manufacture of a Medicament for the Treatment of Viral Diseases TYMP, PNP, HPRT1 PNP 2/4885HPRT1 3/4885BLM 1770/4885
US-20060069108-A1 Use of (R)-penciclovir triphosphate for the manufacture of a medicament for the treatment of viral diseases TYMP, PNP, HPRT1 PNP 2/4885HPRT1 3/4885BLM 1770/4885

“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.