SCHEMBL983769

SCHEMBL983769

Nc1ncnc2c1ncn2CCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.68
ADORA1 P30542 4/20 0.68
ADCY5 O95622 5/20 0.65
ADORA2B P29275 1/20 0.63
ALDH1A1 P00352 1/20 0.62
EGFR P00533 1/20 0.59
PI4KA P42356 2/20 0.58
PI4K2B Q8TCG2 2/20 0.58
PI4K2A Q9BTU6 2/20 0.58
PI4KB Q9UBF8 2/20 0.58
FGFR1 P11362 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56

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
SCHEMBL17297723 0.91 ADCY5 (0.74) ADORA2AADORA1ADCY5ADORA2BALDH1A1
SCHEMBL6045746 0.90 ADCY5 (0.74) ADORA2AADORA1ADCY5ADORA2BALDH1A1
SCHEMBL6045556 0.89 ADCY5 (0.75) ADORA2AADORA1ADCY5ADORA2BALDH1A1
SCHEMBL6045717 0.89 ADCY5 (0.75) ADORA2AADORA1ADCY5ADORA2BALDH1A1
SCHEMBL13882135 0.87 ADORA2A (0.66) ADORA2AADORA1ADCY5ADORA2BALDH1A1
SCHEMBL12948654 0.85 ADORA2A (0.68) ADORA2AADORA1ADCY5ADORA2BALDH1A1
SCHEMBL1673251 0.84 EGFR (0.70) ADORA2AADORA1ADCY5ADORA2BALDH1A1
SCHEMBL6045601 0.84 ADCY5 (0.85) ADORA2AADORA1ADCY5ADORA2BALDH1A1
SCHEMBL12922450 0.84 ADORA2A (0.67) ADORA2AADORA1ADCY5ADORA2BALDH1A1
SCHEMBL11222112 0.84 ADORA2A (0.80) ADORA2AADORA1ADCY5ADORA2BPI4KA

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101157703-A Adenine bisphosphonate and preparation method thereof and application in pharmaceutical preparations UNIV HEBEI MEDICAL (CN) 2008-04-09 CN claimed
US-20250258146-A1 QUANTITATIVE DETECTION METHOD OF MULTIPLE METABOLITES IN BIOLOGICAL SAMPLE AND METABOLIC CHIP HUMAN METABOLOMICS INSTITUTE INC. (CN) 2025-08-14 US disclosed
CN-114384756-A Resin composition, toner for developing electrostatic image, image forming method, photosensitive adhesive, and photoswitch material 柯尼卡美能达株式会社 2022-04-22 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
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-5801184-A Carbon monoxide dependent guanylyl cyclase modifiers and methods of use SPECTRUM PHARMACEUTICALS, INC. 1998-09-01 US disclosed
CN-1154065-A Carbon monoxide dependent guanylyl cyclase effectors GLASKY ALVIN J (US) 1997-07-09 CN disclosed
EP-0522082-B1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1997-07-02 EP disclosed
EP-0772440-A1 CARBON MONOXIDE DEPENDENT GUANYLYL CYCLASE MODIFIERS GLASKY, Alvin J. (US) 1997-05-14 EP disclosed
WO-1996003125-A1 CARBON MONOXIDE DEPENDENT GUANYLYL CYCLASE MODIFIERS GLASKY ALVIN J (US) 1996-02-08 WO disclosed
US-5447939-A Purine derivatives used for long term modification of neural activity in mammals, for treatment of mammalian neurological diseases, and for inducing long term changes in membrane potential of mammalian neuron SPECTRUM PHARMACEUTICALS, INC. 1995-09-05 US disclosed
EP-0522082-A4 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE 1993-06-09 EP disclosed
EP-0522082-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE. GLASKY ALVIN J (US) 1993-01-13 EP disclosed
US-5091432-A Synergistic SPECTRUM PHARMACEUTICALS, INC. 1992-02-25 US disclosed
WO-1991014434-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1991-10-03 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 (1 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-20080194594-A1 Use of reversible inhibitors of s-adenosyl-l-homocysteine hydrolase for treating lupus AHCY, AHCYL1, BHMT ADORA2A 70/4885ADORA1 95/4885ADCY5 448/4885

“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.