SCHEMBL4156582

SCHEMBL4156582

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)NC1CC1)O[C@H]2n1cnc2c(N)nc(OC3CCCC3)nc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.51
▸ ADORA2B P29275 5/20 0.51
▸ ADORA3 P0DMS8 5/20 0.48
▸ ADORA1 P30542 3/20 0.48
▸ HSP90B1 P14625 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ METTL3 Q86U44 1/20 0.44
▸ METTL14 Q9HCE5 1/20 0.44

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
SCHEMBL4152301 0.89 ADORA2A (0.55) ADORA2AADORA2BADORA3RXFP1TMEM97
SCHEMBL4160361 0.85 ADORA2A (0.67) ADORA2AADORA2BADORA3ADORA1HSP90B1
SCHEMBL4148702 0.83 ADORA2A (0.57) ADORA2AADORA2BADORA3RXFP1
SCHEMBL4231078 0.81 ADORA2A (0.56) ADORA2AADORA2BADORA3
SCHEMBL4231106 0.81 ADORA2A (0.56) ADORA2AADORA2BADORA3
SCHEMBL3876664 0.81 ADORA2A (0.71) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4236084 0.81 ADORA2A (0.71) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4159761 0.81 ADORA2A (0.52) ADORA2AADORA2BADORA3RXFP1
Water SCHEMBL4239095 0.81 ADORA2A (0.55) ADORA2AADORA2BADORA3
Water SCHEMBL4239105 0.81 ADORA2A (0.55) ADORA2AADORA2BADORA3

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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