SCHEMBL6572654

SCHEMBL6572654

CC(C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NN)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.49
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
ADORA2B P29275 5/20 0.47
ADORA2A P29274 4/20 0.47
DOT1L Q8TEK3 1/20 0.47
ADORA1 P30542 2/20 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
SCHEMBL7063992 0.90 ADORA2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA2B
SCHEMBL6573922 0.90 ADORA2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA2B
SCHEMBL6573017 0.88 AHCY (0.49) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL6575255 0.86 ADORA2A (0.58) ADORA3ADORA2BADORA2AADORA1
SCHEMBL6576690 0.80 ADORA3 (0.57) ADORA3ADORA2BADORA2AADORA1
SCHEMBL20925696 0.78 ADORA3 (0.69) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL20925712 0.78 ADORA3 (0.69) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL22332144 0.78 ADORA3 (0.69) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL6793617 0.76 ADORA2A (0.56) ADORA3ADORA2BADORA2AADORA1
SCHEMBL6572707 0.76 ADORA2A (0.56) ADORA3ADORA2BADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed
US-6677316-B2 TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL SMITHKLINE BEECHAM CORPORATION 2004-01-13 US disclosed
US-20030096788-A1 Adenosine derivatives GLAXO WELLCOME INC. 2003-05-22 US disclosed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 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 (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-20030096788-A1 Adenosine derivatives ADORA3, ADORA2A, ADORA1 ADORA3 1/4885PI4KA 1727/4885PI4K2B 2708/4885

“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.