SCHEMBL713089

SCHEMBL713089

CC(C)[C@H](N)C(=O)OCC[C@@H](CO)Cn1cnc2cnc(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HBB P68871 1/20 0.41
▸ PDE3A Q14432 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL713090 1.00 KDM4E (0.53) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL712563 0.92 KDM4E (0.58) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL712564 0.92 KDM4E (0.58) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL710899 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL710900 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL711597 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL711598 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL712538 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL712539 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL711675 0.84 KDM4E (0.49) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576763-B1 Stereospecific acylation; viricides for herpes and retroviruses MEDIVIR AB (SE) 2003-06-10 — — US claimed
US-20120123119-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2012-05-17 — — US disclosed
US-8124609-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2012-02-28 — — US disclosed
US-20090076041-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2009-03-19 — — US disclosed
US-7432274-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2008-10-07 — — US disclosed
US-7189849-B2 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2007-03-13 — — US disclosed
US-20050250795-A1 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2005-11-10 — — US disclosed
US-6878844-B2 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2005-04-12 — — US disclosed
US-20040248910-A1 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2004-12-09 — — US disclosed
US-20040132749-A1 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2004-07-08 — — US disclosed
EP-0880521-B1 SYNTHESIS OF ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 2003-01-22 — — EP disclosed
US-20020188125-A1 Acyclic nucleoside derivatives MEDIVIR AB 2002-12-12 — — US disclosed
US-6255312-B1 VIRICIDES MEDIVIR AB (SE) 2001-07-03 — — US disclosed
US-6184376-B1 POTENT ANTIVIRALS, ESPECIALLY AGAINST HERPES INFECTIONS, SUCH AS THOSE CAUSED BY VARICELLA ZOSTER VIRUS, HERPES SIMPLEX, EPSTEIN-BARR VIRUS, HERPES TYPE 6 (HHV-6) AND TYPE 8 (HHV-8). SHINGLES IN THE ELDERLY OR CHICKEN POX IN THE YOUNG MEDIVER AB (SE) 2001-02-06 — — US disclosed
EP-0971923-A2 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2000-01-19 — — EP disclosed
EP-0888348-A1 ACYCLIC NUCLEOSIDE DERIVATIVES Medivir Aktiebolag (SE) 1999-01-07 — — EP disclosed
EP-0880521-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDES Medivir Aktiebolag (SE) 1998-12-02 — — EP disclosed
WO-1998034917-A2 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 1998-08-13 — — WO disclosed
WO-1997030052-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 1997-08-21 — — WO disclosed
WO-1997030051-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 1997-08-21 — — 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 (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-20090076041-A1 ACYCLIC NUCLEOSIDE DERIVATIVES NUDT1, PNP, NSUN2 KDM4E 4336/4885ALDH1A1 2140/4885HPGD 1026/4885
US-20120123119-A1 ACYCLIC NUCLEOSIDE DERIVATIVES NUDT1, PNP, NSUN2 KDM4E 4317/4885ALDH1A1 2200/4885HPGD 1066/4885
US-20040132749-A1 Acyclic nucleoside derivatives NSUN2, NUDT1, PNP KDM4E 4353/4885ALDH1A1 2049/4885HPGD 1603/4885
US-20040248910-A1 Synthesis of acyclic nucleoside derivatives NSUN2, SLC28A1, NUDT1 KDM4E 4410/4885ALDH1A1 2176/4885HPGD 1298/4885
US-20050250795-A1 Synthesis of acyclic nucleoside derivatives ASNS, NUDT1, PNP KDM4E 4268/4885ALDH1A1 2194/4885HPGD 943/4885
US-20020188125-A1 Acyclic nucleoside derivatives NSUN2, NUDT1, PNP KDM4E 4279/4885ALDH1A1 2233/4885HPGD 1619/4885

“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.

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