SCHEMBL12922453

SCHEMBL12922453

CCC(O)CCn1cnc2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.67
▸ ADORA1 P30542 5/20 0.67
▸ ADORA2B P29275 2/20 0.67
▸ PI4KA P42356 2/20 0.61
▸ PI4K2B Q8TCG2 2/20 0.61
▸ PI4K2A Q9BTU6 2/20 0.61
▸ PI4KB Q9UBF8 2/20 0.61
▸ AHCY P23526 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.54
▸ FGFR1 P11362 1/20 0.53
▸ SLC22A6 Q4U2R8 1/20 0.53

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 0.87 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL987631 0.87 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11487766 0.86 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL13394189 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL14963614 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12922451 0.84 ADORA2A (0.68) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL13952171 0.84 ADORA2A (0.63) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12948656 0.83 ADORA2A (0.59) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL6045649 0.83 ADORA2A (0.62) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL27432827 0.83 ADORA2A (0.62) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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 ADORA2A 70/4885ADORA1 95/4885ADORA2B 206/4885
US-20080194594-A1 Use of reversible inhibitors of s-adenosyl-l-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT ADORA2A 70/4885ADORA1 95/4885ADORA2B 206/4885
US-20080171049-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ADORA2A 72/4885ADORA1 77/4885ADORA2B 183/4885
US-20070129386-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ADORA2A 72/4885ADORA1 77/4885ADORA2B 183/4885

“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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