SCHEMBL5455528

SCHEMBL5455528

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(C)=O)[C@H]1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.56
PRKAG1 P54619 2/20 0.56
PRKAA2 P54646 2/20 0.56
PRKAA1 Q13131 2/20 0.56
PRKAG3 Q9UGI9 2/20 0.56
PRKAG2 Q9UGJ0 2/20 0.56
PRKAB1 Q9Y478 2/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MARS1 P56192 1/20 0.51
ADORA1 P30542 4/20 0.51
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PRKACA P17612 2/20 0.50
DNPH1 O43598 1/20 0.50

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
SCHEMBL9300768 1.00 PRKAB2 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19889158 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13597931 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31685764 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4425824 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23982402 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8205660 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11423681 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10033986 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2585546 0.90 ADORA1 (0.60) ALDH1A1ADORA1SMN1; SMN2ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362244-B2 Method for producing nucleoside derivatives AJINOMOTO CO., INC. (JP) 2013-01-29 US claimed
US-20070282104-A1 METHOD FOR PRODUCING NUCLEOSIDE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-12-06 US claimed
EP-1849786-A1 METHOD FOR PRODUCING NUCLEOSIDE DERIVATIVE Ajinomoto Co., Inc. (JP) 2007-10-31 EP claimed
US-8362244-B2 Method for producing nucleoside derivatives AJINOMOTO CO., INC. (JP) 2013-01-29 US disclosed
US-20070282104-A1 METHOD FOR PRODUCING NUCLEOSIDE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-12-06 US disclosed
EP-1849786-A1 METHOD FOR PRODUCING NUCLEOSIDE DERIVATIVE Ajinomoto Co., Inc. (JP) 2007-10-31 EP disclosed
US-6699979-B2 PREPARED VIA A STEREOSPECIFIC SN2 NUCLEOPHILIC ATTACK OF A PHOSPHODIESTER, OR PHOSPHOROTHIOATE, ON THE 3' POSITION OF A XYLONUCLEOTIDE; USEFUL IN ANTISENSE OR PROBE TECHNOLOGY ISIS PHARMACEUTICALS, INC. 2004-03-02 US disclosed
US-20030204080-A1 Methods for producing nucleoside derivatives and intermediates therefor AJINOMOTO CO. INC (JP) 2003-10-30 US disclosed
US-20030204079-A1 Process for producing 2', 3'-diethy substituted nucleoside derivatives AJINOMOTO CO., INC (JP) 2003-10-30 US disclosed
US-6579976-B2 Producing compounds having sugar-moiety hydroxyl groups or halogen atoms reduced in nucleic acids by allowing O-thiocarbonyl derivatives or halogenated derivatives in the sugar-moiety react with hypophosphorous acids or salts AJINOMOTO CO., INC. (JP) 2003-06-17 US disclosed
US-20030004330-A1 Methods for producing nucleoside derivatives and intermediates therefor AJINOMOTO CO. INC (JP) 2003-01-02 US disclosed
US-20010008936-A1 Oligonucleotides having chiral phosphorus linkages ISIS PHARMACEUTICALS, INC. 2001-07-19 US disclosed
US-6239265-B1 FOR RESEARCH AND DIAGNOSIS ISIS PHARMACEUTICALS, INC. 2001-05-29 US disclosed
EP-0999218-A1 Process for producing nucleoside derivatives Ajinomoto Co., Inc. (JP) 2000-05-10 EP disclosed
US-5852188-A Oligonucleotides having chiral phosphorus linkages ISIS PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
US-5521302-A NUCLEOPHILIC REACTION OF PHOSPHATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 1996-05-28 US disclosed
US-5466793-A Catalytic reducing of a nucleoside with hydrogen in the presence of palladium and recovering AJINOMOTO CO., INC. (JP) 1995-11-14 US disclosed
US-5290927-A Process for preparing 2',3'-dideoxyadenosine AJINOMOTO CO., INC. (JP) 1994-03-01 US disclosed
US-5212295-A Monomers for preparation of oligonucleotides having chiral phosphorus linkages ISIS PHARMACEUTICALS (US) 1993-05-18 US disclosed
US-5106962-A Reacting nucleosides with viologens in the presence of base AJINOMOTO CO., INC. (JP) 1992-04-21 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 (5 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-20030004330-A1 Methods for producing nucleoside derivatives and intermediates therefor DCTD, ADAR, IMPDH1 PRKAB2 2523/4885PRKAG1 2464/4885PRKAA2 1525/4885
US-20070282104-A1 METHOD FOR PRODUCING NUCLEOSIDE DERIVATIVES SLC29A2, SLC29A1, NUDT1 PRKAB2 2653/4885PRKAG1 3144/4885PRKAA2 3411/4885
US-20030204079-A1 Process for producing 2', 3'-diethy substituted nucleoside derivatives RNGTT, DOHH, NT5C3B PRKAB2 839/4885PRKAG1 1380/4885PRKAA2 901/4885
US-20030204080-A1 Methods for producing nucleoside derivatives and intermediates therefor DCTD, ADAR, IMPDH1 PRKAB2 2523/4885PRKAG1 2464/4885PRKAA2 1525/4885
US-20010008936-A1 Oligonucleotides having chiral phosphorus linkages RNGTT, PNP, PSPH PRKAB2 1373/4885PRKAG1 1423/4885PRKAA2 1726/4885

“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.