SCHEMBL8445904

SCHEMBL8445904

CO[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 13/20 0.69
▸ ADORA2B P29275 3/20 0.67
▸ ADORA3 P0DMS8 2/20 0.67
▸ ADORA2A P29274 2/20 0.66
▸ DPP4 P27487 1/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ SLC28A1 O00337 1/20 0.66
▸ MAP3K7 O43318 1/20 0.66
▸ SLC28A2 O43868 1/20 0.66
▸ GAPDH P04406 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ ADORA1 P30542 1/20 0.66
▸ STAT6 P42226 1/20 0.66
▸ PI4KA P42356 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ PI4K2B Q8TCG2 1/20 0.66
▸ DOT1L Q8TEK3 1/20 0.66
▸ SLC29A1 Q99808 1/20 0.66
▸ PI4K2A Q9BTU6 1/20 0.66

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
5'-Deoxyadenosine SCHEMBL3459556 0.84 AHCY (0.69) AHCYADORA2BADORA3ADORA2ADPP4
5'-Deoxyadenosine SCHEMBL4397160 0.84 AHCY (0.69) AHCYADORA2BADORA3ADORA2ADPP4
5'-Deoxyadenosine SCHEMBL14158945 0.84 AHCY (0.69) AHCYADORA2BADORA3ADORA2ADPP4
5'-Deoxyadenosine SCHEMBL542617 0.84 AHCY (0.69) AHCYADORA2BADORA3ADORA2ADPP4
5'-Deoxyadenosine SCHEMBL14304623 0.84 AHCY (0.69) AHCYADORA2BADORA3ADORA2ADPP4
5'-Deoxyadenosine SCHEMBL3459552 0.84 AHCY (0.69) AHCYADORA2BADORA3ADORA2ADPP4
5'-Deoxyadenosine SCHEMBL17677150 0.84 AHCY (0.69) AHCYADORA2BADORA3ADORA2ADPP4
5'-Deoxyadenosine SCHEMBL15926823 0.84 AHCY (0.69) AHCYADORA2BADORA3ADORA2ADPP4
5'-Deoxyadenosine SCHEMBL12453581 0.84 AHCY (0.69) AHCYADORA2BADORA3ADORA2ADPP4
SCHEMBL4850058 0.83 AHCY (0.67) AHCYADORA2BADORA3ADORA2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097562-A1 Method for treating tension-type headache HEAD EXPLORER APS (DK) 2004-05-20 — — 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-20040097562-A1 Method for treating tension-type headache GRIN3A, GRIN2A, GRIK4 AHCY 749/4885ADORA2B 1323/4885ADORA3 1052/4885

“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.

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