SCHEMBL987631

SCHEMBL987631

Nc1ncnc2c1ncn2CCC(O)CO

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.74
AHCY P23526 7/20 0.74
ADORA1 P30542 4/20 0.68
ADORA2B P29275 1/20 0.60
ALDH1A1 P00352 1/20 0.56
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
FGFR1 P11362 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
ADCY1 Q08828 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
SCHEMBL5965418 1.00 ADORA2A (0.74) ADORA2AAHCYADORA1ADORA2BALDH1A1
SCHEMBL11487766 0.90 ADORA2A (0.71) ADORA2AAHCYADORA1ADORA2BALDH1A1
SCHEMBL12922453 0.87 ADORA2A (0.67) ADORA2AAHCYADORA1ADORA2BALDH1A1
SCHEMBL4088282 0.87 ADORA2A (0.70) ADORA2AAHCYADORA1ADORA2BPI4KA
(S)-Dhpa SCHEMBL28605202 0.85 AHCY (1.00) ADORA2AAHCYADORA1ADORA2BALDH1A1
(S)-Dhpa SCHEMBL936287 0.85 AHCY (1.00) ADORA2AAHCYADORA1ADORA2BALDH1A1
(S)-Dhpa SCHEMBL936286 0.85 AHCY (1.00) ADORA2AAHCYADORA1ADORA2BALDH1A1
SCHEMBL12418038 0.85 ADORA2A (0.63) ADORA2AAHCYADORA1ADORA2BALDH1A1
SCHEMBL10009500 0.83 ADORA2A (0.65) ADORA2AAHCYADORA1ADORA2BPI4KA
SCHEMBL13952171 0.82 ADORA2A (0.63) ADORA2AAHCYADORA1ADORA2BALDH1A1

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
EP-1613628-B1 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GEN ATOMICS (US) 2013-11-20 EP disclosed
EP-1799682-B1 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GEN ATOMICS (US) 2012-12-05 EP disclosed
US-8168643-B2 Multiple sclerosis; hemorrhagic virus infection, autoimmune diseases, autograft rejection, neoplasm, hyperhomocysteineuria, cardiovascular disease, stroke, Alzheimer's disease, or diabetes; can be used in combination with an anti-hemorrhagic viral infection agent, immunosuppressant GENERAL ATOMICS (US) 2012-05-01 US disclosed
US-7868011-B2 Use of reversible inhibitors of S-adenosyl-L-homocysteine hydrolase for treating lupus GENERAL ATOMICS (US) 2011-01-11 US disclosed
US-7517887-B2 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof GENERAL ATOMICS (US) 2009-04-14 US disclosed
US-20080194594-A1 Use of reversible inhibitors of s-adenosyl-l-homocysteine hydrolase for treating lupus NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2008-08-14 US disclosed
US-20080171049-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2008-07-17 US disclosed
WO-2008086203-A1 USE OF REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE FOR TREATING LUPUS GENERAL ATOMICS (US) 2008-07-17 WO disclosed
EP-1613628-A4 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GEN ATOMICS (US) 2008-07-16 EP disclosed
US-20070207172-A1 Use of reversible inhibitors of S-adenosyl-L-homocysteine hydrolase for treating lupus NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2007-09-06 US disclosed
EP-1044987-B1 Gapped 2'-modified oligonucleotides ISIS PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
EP-1613628-A2 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GENERAL ATOMICS (US) 2006-01-11 EP disclosed
US-20050182075-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2005-08-18 US disclosed
WO-2005009334-A2 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GENERAL ATOMICS (US) 2005-02-03 WO disclosed
US-20040204429-A1 Reversible inhibitors of SAH hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2004-10-14 US disclosed
EP-0739351-B1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-04-10 EP disclosed
EP-0691968-B1 ACYCLIC NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE SEQUENCES CONTAINING THEM SANOFI SA (FR) 1997-07-16 EP disclosed
US-5576427-A COMPOUNDS WHICH REPLACE NUCLEOSIDES IN AN OLIGONUCLEOTIDE TO INHIBIT NUCLEASE DEGRADATION OF OLIGONUCLEOTIDE STERLING WINTHROP, INC. (US) 1996-11-19 US disclosed
WO-1994022864-A1 ACYCLIC NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE SEQUENCES CONTAINING THEM STERLING WINTHROP INC. (US) 1994-10-13 WO disclosed
US-4230708-A SYNERGISTIC STICHTING REGA V.Z.W. (BE) 1980-10-28 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-20040204429-A1 Reversible inhibitors of SAH hydrolase and uses thereof AHCY, BHMT, AHCYL1 ADORA2A 87/4885AHCY 1/4885ADORA1 93/4885
US-20070207172-A1 Use of reversible inhibitors of S-adenosyl-L-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT ADORA2A 70/4885AHCY 1/4885ADORA1 95/4885
US-20080194594-A1 Use of reversible inhibitors of s-adenosyl-l-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT ADORA2A 70/4885AHCY 1/4885ADORA1 95/4885
US-20080171049-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ADORA2A 72/4885AHCY 1/4885ADORA1 77/4885
US-20050182075-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ADORA2A 72/4885AHCY 1/4885ADORA1 77/4885

“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.