SCHEMBL12948652

SCHEMBL12948652

CC(C)OCC(CCn1cnc2c(N)ncnc21)OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.55
ADORA1 P30542 4/20 0.54
ADORA2B P29275 1/20 0.54
PI4KA P42356 2/20 0.50
PI4K2B Q8TCG2 2/20 0.50
PI4K2A Q9BTU6 2/20 0.50
PI4KB Q9UBF8 2/20 0.50
NSD3 Q9BZ95 5/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.46
NSD2 O96028 4/20 0.46

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
SCHEMBL12948658 0.90 ADORA2A (0.52) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12948656 0.84 ADORA2A (0.59) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL8846475 0.83 ADORA2A (0.56) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19841 0.79 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12922454 0.79 ADORA2A (0.55) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL8846480 0.79 ADORA2A (0.51) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL986231 0.77 ADORA2A (0.56) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL20621738 0.77 ADORA2A (0.56) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5077097 0.77 ADORA2A (0.51) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22142773 0.77 ADORA2A (0.66) 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 3 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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

“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.