SCHEMBL4147751

SCHEMBL4147751

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(O)OCc1ccccc1)O[C@H]2n1cnc2c(N)nc(OC3CCCC3)nc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.50
▸ ADORA2B P29275 9/20 0.50
▸ ADORA3 P0DMS8 3/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ NT5E P21589 1/20 0.41
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40

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
SCHEMBL4231078 0.86 ADORA2A (0.56) ADORA2AADORA2BADORA3PI4KAPI4K2B
SCHEMBL4231106 0.86 ADORA2A (0.56) ADORA2AADORA2BADORA3PI4KAPI4K2B
Water SCHEMBL4239095 0.86 ADORA2A (0.55) ADORA2AADORA2BADORA3PI4KAPI4K2B
Water SCHEMBL4239105 0.86 ADORA2A (0.55) ADORA2AADORA2BADORA3PI4KAPI4K2B
SCHEMBL4147066 0.85 ADORA2A (0.51) ADORA2AADORA2BADORA3PI4KAPI4K2B
SCHEMBL4164803 0.83 ADORA2A (0.54) ADORA2AADORA2BADORA3PI4KAPI4K2B
SCHEMBL4159761 0.83 ADORA2A (0.52) ADORA2AADORA2BADORA3PI4KAPI4K2B
SCHEMBL4164271 0.81 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1PI4KA
SCHEMBL5197949 0.81 ADORA2A (0.51) ADORA2AADORA2BADORA3PI4KAPI4K2B
SCHEMBL4236084 0.80 ADORA2A (0.71) ADORA2AADORA2BADORA3ADORA1PI4KA

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA2A 33/4885ADORA2B 46/4885ADORA3 29/4885

“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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