SCHEMBL790622

SCHEMBL790622

C=CCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.59
▸ ADORA3 P0DMS8 11/20 0.54
▸ ADORA1 P30542 8/20 0.54
▸ ADORA2B P29275 4/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ ADA P00813 1/20 0.52
▸ PGK1 P00558 1/20 0.51
▸ PGK2 P07205 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL24081925 0.86 ADORA3 (0.66) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL30091060 0.86 ADORA3 (0.66) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL21136929 0.86 ADORA3 (0.66) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL723793 0.86 ADORA3 (0.66) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL3924548 0.86 ADORA3 (0.66) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL5937302 0.85 ADORA2A (0.59) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL723669 0.84 ADORA3 (0.76) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL10208341 0.84 ADORA3 (0.76) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL15618022 0.83 ADORA1 (0.74) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL21136562 0.83 ADORA1 (0.74) ADORA2AADORA3ADORA1ADORA2BALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 — — US disclosed
US-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 — — US disclosed
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-02-05 — — US disclosed
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-02-05 — — US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 — — US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 — — US disclosed
WO-2012040127-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 — — WO disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
US-20120071434-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 (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-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ADORA2A 252/4885ADORA3 216/4885ADORA1 240/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ADORA2A 252/4885ADORA3 216/4885ADORA1 240/4885

“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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