SCHEMBL6840470

SCHEMBL6840470

Nc1nc2c(ncn2CO[C@H](CO)COCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.72
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 1/20 0.72
LMNA P02545 1/20 0.72
CYP3A4 P08684 1/20 0.72
NFKB1 P19838 1/20 0.72
VCP P55072 1/20 0.72
KMT2A Q03164 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
HIF1A Q16665 1/20 0.72
PDE3A Q14432 1/20 0.63
PNP P00491 6/20 0.58
USP2 O75604 1/20 0.57
TSHR P16473 1/20 0.57
EDNRA P25101 1/20 0.57
HTR2A P28223 1/20 0.57
RECQL P46063 1/20 0.57
HBB P68871 1/20 0.57
HSD17B10 Q99714 1/20 0.57
BCHE P06276 1/20 0.54

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
SCHEMBL6835357 1.00 BLM (0.72) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL6377806 1.00 BLM (0.72) BLMMEN1ALDH1A1LMNACYP3A4
Hydrochloric Acid SCHEMBL6380553 0.99 BLM (0.71) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9651453 0.94 BLM (0.65) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL8981399 0.91 PNP (0.61) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL6835438 0.91 PNP (0.61) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10812705 0.89 BLM (0.67) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL7919764 0.89 BLM (0.59) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10553712 0.89 PNP (0.60) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10558237 0.89 PNP (0.60) BLMMEN1ALDH1A1LMNACYP3A4

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-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
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 BLM 1163/4885MEN1 850/4885ALDH1A1 919/4885
US-20040102462-A1 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative DPP7, PURB, EIF2AK2 BLM 1163/4885MEN1 850/4885ALDH1A1 919/4885

“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.