SCHEMBL800299

SCHEMBL800299

C[C@H](O)[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 1/20 0.58
▸ ADORA3 P0DMS8 4/20 0.55
▸ HINT1 P49773 1/20 0.53
▸ ADORA2B P29275 4/20 0.53
▸ ADORA2A P29274 3/20 0.53
▸ NT5E P21589 1/20 0.53
▸ CYP2C19 P33261 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ SLC29A1 Q99808 1/20 0.51

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
SCHEMBL2047557 0.88 NT5E (0.65) ADORA3ADORA2BADORA2ANT5EADORA1
SCHEMBL800659 0.88 NT5E (0.55) HSP90B1ADORA3ADORA2BADORA2ANT5E
SCHEMBL3053788 0.88 NT5E (0.65) ADORA3ADORA2BADORA2ANT5EADORA1
SCHEMBL6829145 0.87 HINT1 (0.56) HSP90B1ADORA3HINT1ADORA2BADORA2A
SCHEMBL800346 0.84 PRMT5 (0.64) HSP90B1ADORA3ADORA2BADORA2AADORA1
SCHEMBL22326787 0.84 PRMT5 (0.64) HSP90B1ADORA3ADORA2BADORA2AADORA1
SCHEMBL22326785 0.84 PRMT5 (0.64) HSP90B1ADORA3ADORA2BADORA2AADORA1
SCHEMBL21413837 0.84 PRMT5 (0.64) HSP90B1ADORA3ADORA2BADORA2AADORA1
SCHEMBL18520788 0.84 PRMT5 (0.64) HSP90B1ADORA3ADORA2BADORA2AADORA1
SCHEMBL13173634 0.84 PRMT5 (0.64) HSP90B1ADORA3ADORA2BADORA2AADORA1

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
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 — — WO disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — 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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 HSP90B1 1907/4885ADORA3 174/4885HINT1 76/4885

“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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