Adenine

Adenine

SCHEMBL6480078

CC(=O)c1cccnc1.NC(=O)c1cccnc1.Nc1ncnc2nc[nH]c12

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.49
PI4K2B Q8TCG2 2/20 0.49
PI4K2A Q9BTU6 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
LMNA P02545 2/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
SIRT4 Q9Y6E7 1/20 0.49
DRD3 P35462 1/20 0.49
XDH P47989 1/20 0.49
LRRK2 Q5S007 1/20 0.49
MKNK1 Q9BUB5 2/20 0.44
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

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 SCHEMBL55284 0.95 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL9274699 0.94 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL15700 0.94 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL22748487 0.94 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL2564210 0.94 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL23531102 0.93 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL7712108 0.93 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL11807683 0.93 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL1324561 0.93 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL27518288 0.93 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA

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
CN-105734113-A Kit of detecting D-3-hydroxybutyric acid through enzymic method and preparation method thereof 上海复星长征医学科学有限公司 2016-07-06 CN disclosed
US-20050240034-A1 Artemisinin-based peroxide compounds as broad spectrum anti-infective agents MISSISSIPPI, THE UNIVERSITY OF 2005-10-27 US disclosed
WO-2003095444-A1 ARTEMISININ-BASED PEROXIDE COMPOUNDS AS BROAD SPECTRUM ANTI-INFECTIVE AGENTS UNIVERSITY OF MISSISSIPI (US) 2003-11-20 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-20050240034-A1 Artemisinin-based peroxide compounds as broad spectrum anti-infective agents CASP10, HCCS, CASP9 PI4KA 2554/4885PI4K2B 2935/4885PI4K2A 2837/4885

“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.