Adenine

Adenine

SCHEMBL4648928

CCN(CC)CC.Nc1ncnc2[nH]cnc12

nearest known ligand 0.40

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.40
ADORA1 P30542 8/20 0.40
PI4KA P42356 7/20 0.40
PI4K2B Q8TCG2 7/20 0.40
PI4K2A Q9BTU6 7/20 0.40
PI4KB Q9UBF8 7/20 0.40
ADORA2B P29275 5/20 0.38
LMNA P02545 1/20 0.38
DRD3 P35462 1/20 0.38
XDH P47989 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ADORA3 P0DMS8 1/20 0.35
STING1 Q86WV6 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
Adenine SCHEMBL4025869 0.87 PI4KA (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL28115851 0.86 PI4KA (0.40) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL3414603 0.85 PI4KA (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL3413247 0.85 PI4KA (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL3416954 0.85 PI4KA (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL8110 0.85 PI4KA (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL1871837 0.83 PI4KA (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL10868999 0.83 PI4KA (0.47) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL2895675 0.83 PI4KA (0.47) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL7204509 0.83 PI4KA (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 ADORA2A 2428/4885ADORA1 865/4885PI4KA 4490/4885

“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.