SCHEMBL983794

SCHEMBL983794

CCC(O)(C(=O)O)n1cnc2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 5/20 0.65
PI4K2B Q8TCG2 5/20 0.65
PI4K2A Q9BTU6 5/20 0.65
PI4KB Q9UBF8 5/20 0.65
ADORA2A P29274 10/20 0.50
ADORA1 P30542 7/20 0.50
ALDH1A1 P00352 1/20 0.48
GSK3B P49841 1/20 0.48
ADORA2B P29275 3/20 0.48
EGFR P00533 1/20 0.46
AHCY P23526 2/20 0.44
ADCY5 O95622 1/20 0.42

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
SCHEMBL12948653 0.87 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22666249 0.78 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20253540 0.78 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL11476962 0.77 PI4KA (0.75) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5080093 0.77 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5021593 0.74 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21118446 0.73 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5083010 0.73 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22020877 0.72 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21090693 0.72 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBADORA2A

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 33 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 claimed
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 claimed
US-20080171049-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2008-07-17 US claimed
WO-2008086203-A1 USE OF REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE FOR TREATING LUPUS GENERAL ATOMICS (US) 2008-07-17 WO claimed
EP-1613628-A4 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GEN ATOMICS (US) 2008-07-16 EP claimed
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 claimed
EP-1799682-A2 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GENERAL ATOMICS (US) 2007-06-27 EP claimed
US-20070129386-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2007-06-07 US claimed
WO-2006044573-A2 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GENERAL ATOMICS (US) 2006-04-27 WO claimed
EP-1613628-A2 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GENERAL ATOMICS (US) 2006-01-11 EP claimed
US-20050182075-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2005-08-18 US claimed
WO-2005009334-A2 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GENERAL ATOMICS (US) 2005-02-03 WO claimed
US-20040204429-A1 Reversible inhibitors of SAH hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2004-10-14 US claimed
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
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

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-20040204429-A1 Reversible inhibitors of SAH hydrolase and uses thereof AHCY, BHMT, AHCYL1 PI4KA 4286/4885PI4K2B 4560/4885PI4K2A 4481/4885
US-20070207172-A1 Use of reversible inhibitors of S-adenosyl-L-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT PI4KA 4621/4885PI4K2B 4772/4885PI4K2A 4723/4885
US-20080194594-A1 Use of reversible inhibitors of s-adenosyl-l-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT PI4KA 4621/4885PI4K2B 4772/4885PI4K2A 4723/4885
US-20080171049-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT PI4KA 4159/4885PI4K2B 4518/4885PI4K2A 4424/4885
US-20070129386-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT PI4KA 4159/4885PI4K2B 4518/4885PI4K2A 4424/4885
US-20050182075-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT PI4KA 4159/4885PI4K2B 4518/4885PI4K2A 4424/4885

“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.