SCHEMBL12922452

SCHEMBL12922452

CC(=O)C(O)CCn1cnc2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
ADORA2A P29274 8/20 0.59
ADORA1 P30542 4/20 0.59
ADORA2B P29275 1/20 0.59
ADCY5 O95622 4/20 0.55
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
AHCY P23526 5/20 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
SCHEMBL11986908 1.00 ALDH1A1 (0.62) ALDH1A1ADORA2AADORA1ADORA2BADCY5
SCHEMBL982442 0.88 ALDH1A1 (0.76) ALDH1A1ADORA2AADORA1ADORA2BADCY5
SCHEMBL11986907 0.87 ADORA2A (0.59) ALDH1A1ADORA2AADORA1ADORA2BADCY5
SCHEMBL2241928 0.86 ALDH1A1 (0.58) ALDH1A1ADORA2AADORA1ADORA2BADCY5
SCHEMBL982326 0.86 ALDH1A1 (0.58) ALDH1A1ADORA2AADORA1ADORA2BADCY5
SCHEMBL14416686 0.85 ALDH1A1 (0.60) ALDH1A1ADORA2AADORA1ADORA2BADCY5
SCHEMBL12948655 0.84 ADORA2A (0.56) ALDH1A1ADORA2AADORA1ADORA2BADCY5
SCHEMBL12922453 0.81 ADORA2A (0.67) ALDH1A1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL13882135 0.81 ADORA2A (0.66) ALDH1A1ADORA2AADORA1ADORA2BADCY5
SCHEMBL6045649 0.81 ADORA2A (0.62) ALDH1A1ADORA2AADORA1ADORA2BADCY5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20070129386-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2007-06-07 US disclosed
US-7196093-B2 Reversible inhibitors of SAH hydrolase and uses thereof GENERAL ATOMICS (US) 2007-03-27 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 (4 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-20070207172-A1 Use of reversible inhibitors of S-adenosyl-L-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT ALDH1A1 852/4885ADORA2A 70/4885ADORA1 95/4885
US-20080194594-A1 Use of reversible inhibitors of s-adenosyl-l-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT ALDH1A1 852/4885ADORA2A 70/4885ADORA1 95/4885
US-20080171049-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ALDH1A1 397/4885ADORA2A 72/4885ADORA1 77/4885
US-20070129386-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ALDH1A1 397/4885ADORA2A 72/4885ADORA1 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.