SCHEMBL5519636

SCHEMBL5519636

C#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2ncnc(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.51
ADK P55263 4/20 0.49
DOT1L Q8TEK3 1/20 0.49
ADORA3 P0DMS8 10/20 0.45
ADORA1 P30542 7/20 0.45
ADORA2B P29275 4/20 0.45
SLC29A1 Q99808 1/20 0.44
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL14598195 1.00 ADORA2A (0.51) ADORA2AADKDOT1LADORA3ADORA1
SCHEMBL13604051 0.90 ADORA2A (0.51) ADORA2AADKDOT1LADORA3ADORA1
SCHEMBL5320000 0.88 ADORA2A (0.49) ADORA2AADKDOT1LADORA3ADORA1
SCHEMBL4425442 0.88 ADORA2A (0.49) ADORA2AADKDOT1LADORA3ADORA1
SCHEMBL14598183 0.88 ADORA2A (0.49) ADORA2AADKDOT1LADORA3ADORA1
SCHEMBL14598204 0.88 ADK (0.65) ADORA2AADKDOT1LADORA3ADORA1
SCHEMBL14598205 0.88 ADK (0.65) ADORA2AADKDOT1LADORA3ADORA1
SCHEMBL14598223 0.88 ADK (0.65) ADORA2AADKDOT1LADORA3ADORA1
SCHEMBL14598185 0.88 ADK (0.65) ADORA2AADKDOT1LADORA3ADORA1
SCHEMBL14523017 0.88 ADK (0.65) ADORA2AADKDOT1LADORA3ADORA1

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
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. 2005-09-29 US claimed
US-7169918-B2 Methods for preparing 7-(2′-substituted-β-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-01-30 US disclosed
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. 2005-09-29 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-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives HAVCR2, NR4A3, NR2C2 ADORA2A 738/4885ADK 2532/4885DOT1L 3820/4885

“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.