SCHEMBL13397350

SCHEMBL13397350

Nc1nc2c(ncn2CO)c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.72
PNP P00491 7/20 0.71
BLM P54132 2/20 0.71
USP2 O75604 1/20 0.71
TSHR P16473 1/20 0.71
EDNRA P25101 1/20 0.71
HTR2A P28223 1/20 0.71
RECQL P46063 1/20 0.71
HBB P68871 1/20 0.71
HSD17B10 Q99714 1/20 0.71
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
CYP3A4 P08684 1/20 0.67
NFKB1 P19838 1/20 0.67
VCP P55072 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HIF1A Q16665 1/20 0.67
HPRT1 P00492 8/20 0.66

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
SCHEMBL350397 0.88 TK1 (0.82) TK1PNPBLMUSP2TSHR
SCHEMBL9960816 0.87 PNP (0.68) TK1PNPBLMUSP2TSHR
SCHEMBL29286376 0.87 TK1 (0.76) TK1PNPBLMUSP2TSHR
SCHEMBL18521979 0.86 PNP (0.66) TK1PNPBLMUSP2TSHR
SCHEMBL3836263 0.85 TK1 (0.92) TK1PNPBLMUSP2TSHR
SCHEMBL874736 0.84 PNP (0.64) TK1PNPBLMUSP2TSHR
Tiviciclovir SCHEMBL6944256 0.84 BLM (0.67) TK1PNPBLMUSP2TSHR
SCHEMBL5181353 0.84 TK1 (0.65) TK1PNPBLMUSP2TSHR
SCHEMBL571645 0.84 TK1 (1.00) TK1PNPBLMUSP2TSHR
SCHEMBL455494 0.84 PNP (0.64) TK1PNPBLMUSP2TSHR

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
CN-105938124-A Determination method of formaldehyde-DNA adducts in saliva 国家烟草质量监督检验中心 2016-09-14 CN claimed
CN-105628848-A Method for measuring six aldehyde-DNA adducts in saliva NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT 2016-06-01 CN claimed
US-11185588-B2 Pharmaceutical dosage forms comprising valganciclovir hydrochloride HOFFMANN-LA ROCHE INC. (US) 2021-11-30 US disclosed
US-11000600-B2 Exon skipping oligomer conjugates for muscular dystrophy SAREPTA THERAPEUTICS, INC. (US) 2021-05-11 US disclosed
US-20190117775-A1 NOVEL PHARMACEUTICAL DOSAGE FORMS COMPRISING VALGANCICLOVIR HYDROCHLORIDE HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US disclosed
US-20180153998-A1 NOVEL PHARMACEUTICAL DOSAGE FORMS COMPRISING VALGANCICLOVIR HYDROCHLORIDE HOFFMANN-LA ROCHE INC. (US) 2018-06-07 US disclosed
CN-105938124-A Determination method of formaldehyde-DNA adducts in saliva 国家烟草质量监督检验中心 2016-09-14 CN disclosed
CN-105911164-A Determination method of formaldehyde-DNA adduct 国家烟草质量监督检验中心 2016-08-31 CN disclosed
CN-105628848-A Method for measuring six aldehyde-DNA adducts in saliva NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT 2016-06-01 CN disclosed
US-20140179719-A1 NOVEL AMORPHOUS SOLID DISPERSIONS OF VALGANCICLOVIR HYDROCHLORIDE CHEEKOORI SREEDHAR (CA) 2014-06-26 US disclosed
CN-101456859-B Method for preparing antiviral drug valaciclovir UNIV SOUTH CHINA TECH 2011-07-20 CN disclosed
WO-2010036904-A2 PREPARATION OF VALGANCICLOVIR AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-04-01 WO disclosed
CN-101456859-A Method for preparing antiviral drug valaciclovir UNIV SOUTH CHINA TECH (CN) 2009-06-17 CN disclosed
WO-2008082602-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LIVER DISORDERS IDENIX PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
US-20080146591-A1 Contains non-hygroscopic organic acid as stabilizer; for oral administration, after being constituted in water BACHYNSKY MARIA OKSANA 2008-06-19 US disclosed
US-7365178-B2 Acyl-nucleotide probes and methods of their synthesis and use in proteomic analysis ACTIVX BIOSCIENCES, INC. (US) 2008-04-29 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 (6 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-20140179719-A1 NOVEL AMORPHOUS SOLID DISPERSIONS OF VALGANCICLOVIR HYDROCHLORIDE SEPTIN9, SEPTIN7, TYMP TK1 47/4885PNP 33/4885BLM 2800/4885
US-11185588-B2 Pharmaceutical dosage forms comprising valganciclovir hydrochloride OTC, CYP3A5, RPL35 TK1 24/4885PNP 1291/4885BLM 2985/4885
US-20180153998-A1 NOVEL PHARMACEUTICAL DOSAGE FORMS COMPRISING VALGANCICLOVIR HYDROCHLORIDE OTC, RPL35, SORD TK1 38/4885PNP 1531/4885BLM 3351/4885
US-20080146591-A1 Contains non-hygroscopic organic acid as stabilizer; for oral administration, after being constituted in water OTC, RPL35, RPL26 TK1 16/4885PNP 1699/4885BLM 4025/4885
US-11000600-B2 Exon skipping oligomer conjugates for muscular dystrophy UTRN, SMN1; SMN2, RBM17 TK1 1801/4885PNP 3549/4885BLM 1611/4885
US-20190117775-A1 NOVEL PHARMACEUTICAL DOSAGE FORMS COMPRISING VALGANCICLOVIR HYDROCHLORIDE OTC, RPL35, SORD TK1 29/4885PNP 1278/4885BLM 2689/4885

“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.