SCHEMBL6839422

SCHEMBL6839422

CC(=O)Nc1nc2c(ncn2COC(CO)COCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
BLM P54132 1/20 0.50
VCP P55072 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
PDE3A Q14432 1/20 0.49
TK1 P04183 1/20 0.42
BCHE P06276 1/20 0.42
HPRT1 P00492 2/20 0.40
PNP P00491 1/20 0.39

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
SCHEMBL6378699 0.96 MEN1 (0.58) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL9663096 0.92 MEN1 (0.55) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL9662616 0.92 MEN1 (0.54) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL9662189 0.89 MEN1 (0.53) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL2576527 0.86 MEN1 (0.66) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL6377806 0.84 BLM (0.72) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL6840470 0.84 BLM (0.72) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL6835357 0.84 BLM (0.72) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL14963621 0.84 MEN1 (0.63) MEN1KMT2ATSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL6380553 0.83 BLM (0.71) MEN1KMT2ATSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102462-A1 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative NESTOR JOHN J (US) 2004-05-27 US disclosed
US-20020042424-A1 2- (2-amino-1, 6-dihydro-6 -oxo-purin-9 -yl) methoxy-1, 3 -propanediol derivative ROCHE PALO ALTO LLC 2002-04-11 US disclosed
US-6083953-A Treating herpes simplex virus or cytomegalovirus infections; valganciclovir hydrochloride in crystalline form; antiviral; oral administration SYNTEX (U.S.A.) INC. (US) 2000-07-04 US disclosed
EP-0694547-B1 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol derivatives HOFFMANN LA ROCHE (CH) 1999-04-21 EP disclosed
US-5856481-A Synthesis of antiviral agent valganciclovir (2-(2-amino-1,6-dihydro6-oxo-purin-9-yl)methoxy-3-hydroxy-1-propanyl-L-valinate) or salts via deprotection and salt formation SYNTEX (U.S.A.) INC. (US) 1999-01-05 US disclosed
US-5840891-A VIRICIDES WITH IMPROVED ABSORPTION SYNTEX (U.S.A.) INC. (US) 1998-11-24 US disclosed
US-5543414-A VIRICIDES SYNTEX (USA) INC. (US) 1996-08-06 US disclosed
EP-0694547-A2 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol derivative F. Hoffmann-La Roche AG (CH) 1996-01-31 EP 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-20020042424-A1 2- (2-amino-1, 6-dihydro-6 -oxo-purin-9 -yl) methoxy-1, 3 -propanediol derivative DPP7, PURB, EIF2AK2 MEN1 850/4885KMT2A 3875/4885TSHR 4834/4885
US-20040102462-A1 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative DPP7, PURB, EIF2AK2 MEN1 850/4885KMT2A 3875/4885TSHR 4834/4885

“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.