SCHEMBL800659

SCHEMBL800659

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.55
▸ ADORA3 P0DMS8 10/20 0.52
▸ ADORA1 P30542 8/20 0.52
▸ ADORA2B P29275 7/20 0.52
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ SLC29A1 Q99808 3/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSP90B1 P14625 1/20 0.48
▸ ADORA2A P29274 3/20 0.46

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
SCHEMBL800299 0.88 HSP90B1 (0.58) NT5EADORA3ADORA1ADORA2BSLC29A1
SCHEMBL780400 0.80 TAAR1 (0.58) NT5E
SCHEMBL23200375 0.80 TAAR1 (0.58) NT5E
SCHEMBL800874 0.80 TAAR1 (0.58) NT5E
SCHEMBL23200376 0.80 TAAR1 (0.58) NT5E
SCHEMBL23710671 0.80 TAAR1 (0.58) NT5E
SCHEMBL23710670 0.80 TAAR1 (0.58) NT5E
SCHEMBL800400 0.80 TAAR1 (0.58) NT5E
SCHEMBL2047557 0.80 NT5E (0.65) NT5EADORA3ADORA1ADORA2BLMNA
SCHEMBL3053788 0.80 NT5E (0.65) NT5EADORA3ADORA1ADORA2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 — — EP 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
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 — — US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 — — 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 (2 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 NT5E 15/4885ADORA3 174/4885ADORA1 189/4885
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR NT5E 19/4885ADORA3 143/4885ADORA1 170/4885

“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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