SCHEMBL985545

SCHEMBL985545

COC(=O)CCn1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 5/20 0.63
ADORA2A P29274 7/20 0.61
ADORA1 P30542 4/20 0.61
ADORA2B P29275 1/20 0.61
NSD3 Q9BZ95 1/20 0.56
PI4KA P42356 2/20 0.56
PI4K2B Q8TCG2 2/20 0.56
PI4K2A Q9BTU6 2/20 0.56
PI4KB Q9UBF8 2/20 0.56
FGFR1 P11362 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AHCY P23526 2/20 0.52

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
SCHEMBL6045668 0.91 ADCY5 (0.72) ADCY5ADORA2AADORA1ADORA2BNSD3
SCHEMBL6045687 0.87 EP300 (0.62) ADCY5ADORA2AADORA1ADORA2BNSD3
SCHEMBL6694591 0.86 EGFR (0.60) ADCY5ADORA2AADORA1ADORA2BPI4KA
SCHEMBL14113709 0.86 ADORA2A (0.57) ADCY5ADORA2AADORA1ADORA2BNSD3
SCHEMBL13882135 0.85 ADORA2A (0.66) ADCY5ADORA2AADORA1ADORA2BPI4KA
SCHEMBL9534919 0.84 P2RX7 (0.51) ADCY5FGFR1
SCHEMBL983769 0.83 ADORA2A (0.68) ADCY5ADORA2AADORA1ADORA2BPI4KA
SCHEMBL12922450 0.82 ADORA2A (0.67) ADCY5ADORA2AADORA1ADORA2BPI4KA
SCHEMBL6045601 0.82 ADCY5 (0.85) ADCY5ADORA2AADORA1ADORA2BPI4KA
SCHEMBL12948654 0.81 ADORA2A (0.68) ADCY5ADORA2AADORA1ADORA2BPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115478086-A Method for enzymatic on-line synthesis of adenine Michael addition derivatives 浙江工业大学 2022-12-16 CN disclosed
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-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
WO-2008086203-A1 USE OF REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE FOR TREATING LUPUS GENERAL ATOMICS (US) 2008-07-17 WO 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
US-20050182075-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2005-08-18 US disclosed
US-6887880-B2 Adenine based inhibitors of adenylyl cyclase, pharmaceutical compositions, and method of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-05-03 US disclosed
US-20040204429-A1 Reversible inhibitors of SAH hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2004-10-14 US disclosed
US-20020068745-A1 Adenine based inhibitors of adenylyl cyclase, pharmaceutical compositions, and method of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2002040481-A2 ADENINE BASED INHIBITORS OF ADENYLYL CYCLASE, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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 (7 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 ADCY5 353/4885ADORA2A 87/4885ADORA1 93/4885
US-20020068745-A1 Adenine based inhibitors of adenylyl cyclase, pharmaceutical compositions, and method of use thereof CD38, ADCY1, ADCY2 ADCY5 4/4885ADORA2A 38/4885ADORA1 27/4885
US-20070207172-A1 Use of reversible inhibitors of S-adenosyl-L-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT ADCY5 448/4885ADORA2A 70/4885ADORA1 95/4885
US-20080194594-A1 Use of reversible inhibitors of s-adenosyl-l-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT ADCY5 448/4885ADORA2A 70/4885ADORA1 95/4885
US-20080171049-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ADCY5 368/4885ADORA2A 72/4885ADORA1 77/4885
US-20070129386-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ADCY5 368/4885ADORA2A 72/4885ADORA1 77/4885
US-20050182075-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ADCY5 368/4885ADORA2A 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.