SCHEMBL987612

SCHEMBL987612

CC(C)(C)[Si](C)(C)OCC(CCn1cnc2c(N)ncnc21)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.50
ADORA1 P30542 4/20 0.50
ADORA2B P29275 1/20 0.50
PI4KA P42356 2/20 0.49
PI4K2B Q8TCG2 2/20 0.49
PI4K2A Q9BTU6 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
NSD3 Q9BZ95 6/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.43
NSD2 O96028 5/20 0.43
AHCY P23526 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
SCHEMBL985053 0.88 ADORA2A (0.57) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL985389 0.86 ADORA2A (0.51) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL986520 0.85 ADORA2A (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL16039571 0.80 ADORA2A (0.52) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL20621738 0.74 ADORA2A (0.56) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL17804432 0.73 ADORA2A (0.66) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22142773 0.73 ADORA2A (0.66) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19841 0.73 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL14175361 0.73 ADORA2A (0.59) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12948652 0.73 ADORA2A (0.55) 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 14 patents. 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-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
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
EP-1613628-A2 REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE AND USES THEREOF GENERAL ATOMICS (US) 2006-01-11 EP 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 (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 87/4885ADORA1 93/4885ADORA2B 195/4885
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.