SCHEMBL3740994

SCHEMBL3740994

Nc1nc(Cl)nc2c1ncn2[C@H]1S[C@@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.63
▸ ADORA2A P29274 6/20 0.63
▸ ADORA1 P30542 5/20 0.63
▸ PDE4D Q08499 2/20 0.56
▸ PDE3A Q14432 2/20 0.56
▸ PDE2A O00408 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ PNP P00491 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ HSP90AA1 P07900 2/20 0.54
▸ HSP90B1 P14625 2/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47

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
SCHEMBL3746582 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA1PDE4DPDE3A
SCHEMBL3740999 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA1PDE4DPDE3A
SCHEMBL5361537 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA1PDE4DPDE3A
SCHEMBL7768864 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA1PDE4DPDE3A
SCHEMBL14518668 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA1PDE4DPDE3A
SCHEMBL8215936 0.90 ADORA3 (0.62) ADORA3ADORA2AADORA1PDE4DPDE3A
SCHEMBL8215939 0.90 ADORA3 (0.62) ADORA3ADORA2AADORA1PDE4DPDE3A
SCHEMBL12636459 0.88 AHCY (0.58) ADORA3ADORA2AADORA1LMNAHSP90B1
SCHEMBL8709225 0.88 AHCY (0.58) ADORA3ADORA2AADORA1LMNAHSP90B1
SCHEMBL8709942 0.88 AHCY (0.58) ADORA3ADORA2AADORA1LMNAHSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838508-B2 4′-thio-L-xyloy furanosyl nucleosides, precursors thereof, preparation and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2010-11-23 — — US disclosed
US-20070112004-A1 4'-THIO-L-XYLOY FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2007-05-17 — — US disclosed
US-7148223-B2 Compounds for use as viricides, anticarcinogenic agents and inhibit DNA replication SOUTHERN RESEARCH INSTITUTE (US) 2006-12-12 — — US disclosed
US-6914061-B2 4′-thio-L-xylofuranosyl nucleosides, precursors thereof, preparation and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2005-07-05 — — US disclosed
US-20050130969-A1 4'-Thio-L-xyloy furanosyl nucleosides, precursors thereof, preparation and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2005-06-16 — — US disclosed
US-20030144235-A1 Anticarcinogenic agents for treating cancer, a viricides for viral diseases, inhibit DNA replication SOUTHERN RESEARCH INSTITUTE 2003-07-31 — — US disclosed
WO-2001066118-A1 4'-THIO-L-XYLO FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2001-09-13 — — WO 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 (3 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-20030144235-A1 Anticarcinogenic agents for treating cancer, a viricides for viral diseases, inhibit DNA replication POLL, PCNA, YWHAZ ADORA3 2303/4885ADORA2A 3182/4885ADORA1 1407/4885
US-20070112004-A1 4'-THIO-L-XYLOY FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF POLL, PNP, UNG ADORA3 694/4885ADORA2A 644/4885ADORA1 516/4885
US-20050130969-A1 4'-Thio-L-xyloy furanosyl nucleosides, precursors thereof, preparation and use thereof POLL, PNP, UNG ADORA3 694/4885ADORA2A 644/4885ADORA1 516/4885

“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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