Adenine

Adenine

SCHEMBL5015474

CCCCS.Nc1ncnc2[nH]cnc12

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.41
ADORA1 P30542 5/20 0.38
ADORA2B P29275 3/20 0.38
ALDH1A1 P00352 2/20 0.37
PI4KA P42356 5/20 0.36
PI4K2B Q8TCG2 5/20 0.36
PI4K2A Q9BTU6 5/20 0.36
PI4KB Q9UBF8 5/20 0.36
LMNA P02545 1/20 0.36
DRD3 P35462 1/20 0.36
XDH P47989 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
PAK1 Q13153 1/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ADA P00813 3/20 0.33
PDE2A O00408 2/20 0.33
PDE4A P27815 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 0.88 PI4KA (0.41) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Adenine SCHEMBL3416954 0.82 PI4KA (0.48) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Adenine SCHEMBL3414603 0.82 PI4KA (0.48) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Adenine SCHEMBL8110 0.82 PI4KA (0.48) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Adenine SCHEMBL1871837 0.81 PI4KA (0.44) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Adenine SCHEMBL10868999 0.80 PI4KA (0.47) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Adenine SCHEMBL2895675 0.80 PI4KA (0.47) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Adenine SCHEMBL1370888 0.80 PI4KA (0.47) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Adenine SCHEMBL20485928 0.80 PI4KA (0.47) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Adenine SCHEMBL5601016 0.80 PI4KA (0.47) 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
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 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-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 ADORA2A 4404/4885ADORA1 3037/4885ADORA2B 4398/4885

“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.