Sugi Predict

Sugi Predict / Compounds / SCHEMBL5166552

SCHEMBL5166552

SCHEMBL5166552

COC(O)C(CO)n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ BLM P54132 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ VCP P55072 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ HPRT1 P00492 7/20 0.53
▸ PNP P00491 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ EDNRA P25101 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HBB P68871 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TK1 P04183 2/20 0.48

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
Valine SCHEMBL8868227 0.90 PDE3A (0.51) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL7622544 0.86 HPRT1 (0.51) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL5555699 0.86 HPRT1 (0.51) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL5168886 0.84 MEN1 (0.57) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL7620005 0.84 HPRT1 (0.49) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL8712058 0.84 MEN1 (0.49) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL6840618 0.82 PDE3A (0.59) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL6306729 0.82 BLM (0.52) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL23169714 0.82 MEN1 (0.52) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL19050063 0.82 MEN1 (0.57) MEN1KMT2ABLMALDH1A1LMNA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019403-B1 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-04-18 — — EP claimed
EP-0885224-B1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-12-18 — — EP claimed
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 claimed
EP-0885224-A1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-12-23 — — EP claimed
WO-1997027197-A1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 — — WO claimed
CN-104628726-A Synthesis method and application of purine-containing pentadienone derivatives UNIV GUIZHOU 2015-05-20 — — CN disclosed
EP-1019403-B1 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-04-18 — — EP disclosed
EP-1019403-B1 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-04-18 — — EP disclosed
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
EP-0885224-B1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-12-18 — — EP disclosed
EP-0885224-B1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-12-18 — — EP 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
WO-1997027195-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 — — WO disclosed
WO-1997027196-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 — — WO disclosed
WO-1997027195-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 — — WO disclosed
WO-1997027197-A1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 — — WO disclosed
WO-1997027197-A1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 — — WO disclosed
EP-0694547-A3 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol derivative HOFFMANN LA ROCHE (CH) 1996-06-05 — — EP 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
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 3875/4885BLM 1163/4885
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 3875/4885BLM 1163/4885

“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.