Adenine

Adenine

SCHEMBL4025869

CCS.Nc1ncnc2[nH]cnc12

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 7/20 0.41
PI4K2B Q8TCG2 7/20 0.41
PI4K2A Q9BTU6 7/20 0.41
PI4KB Q9UBF8 7/20 0.41
XDH P47989 2/20 0.41
LRRK2 Q5S007 2/20 0.41
LMNA P02545 1/20 0.41
DRD3 P35462 1/20 0.41
ADORA2A P29274 8/20 0.40
ADORA1 P30542 7/20 0.40
ADORA2B P29275 5/20 0.38
ADORA3 P0DMS8 1/20 0.38
HTT P42858 2/20 0.33
RET P07949 1/20 0.33
MAP4K4 O95819 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MAP3K5 Q99683 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 SCHEMBL28115851 0.91 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL3414603 0.90 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL3413247 0.90 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL8110 0.90 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL3416954 0.90 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL1871837 0.88 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL5015474 0.88 ADORA2A (0.41) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL10868999 0.88 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL691914 0.88 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL7204509 0.88 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
EP-1846430-A1 NEW MACROLIDES Basilea Pharmaceutica AG (CH) 2007-10-24 EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 US disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 WO disclosed
US-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity VO NHA HUU (US) 2004-11-04 US 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-6727229-B2 MACROLIDE ANTIBIOTICS PLAY A THERAPEUTICALLY IMPORTANT ROLE, PARTICULARLY WITH THE EMERGENCE OF NEW PATHOGENS ENANTA PHARMACEUTICALS, INC. 2004-04-27 US disclosed
US-6720308-B1 Anhydrolide derivatives having antibacterial activity ENANTA PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20040038915-A1 NOVEL 11,12-SUBSTITUTED LACTONE KETOLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ENANTA PHARMACEUTICALS, INC. 2004-02-26 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 (4 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-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 PI4KA 1402/4885PI4K2B 1785/4885PI4K2A 1826/4885
US-20040220120-A1 Novel anhydrolide derivatives having antibacterial activity GALE, GNE, GMDS PI4KA 4121/4885PI4K2B 4445/4885PI4K2A 4302/4885
US-20040038915-A1 NOVEL 11,12-SUBSTITUTED LACTONE KETOLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY CYP51A1, SI, VIP PI4KA 1882/4885PI4K2B 2561/4885PI4K2A 2182/4885
US-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 PI4KA 4140/4885PI4K2B 4058/4885PI4K2A 4248/4885

“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.