SCHEMBL3624014

SCHEMBL3624014

COCCC1(n2cnc3c(N)nc(N)nc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.42
ADORA2B P29275 9/20 0.42
AHCY P23526 1/20 0.41
HINT1 P49773 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL5505950 0.90 AHCY (0.39) ADORA2AADORA2BAHCYHINT1ADORA3
SCHEMBL6465533 0.89 AHCY (0.38) ADORA2AADORA2BAHCYHINT1ADORA3
SCHEMBL4581732 0.87 ADORA3 (0.49) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL27177316 0.83 PNP (0.44) HINT1ADORA3
SCHEMBL5506198 0.81 LMNA (0.48) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL6685951 0.80 AHCY (0.46) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL1938201 0.80 AHCY (0.46) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL7919927 0.79 ADORA2A (0.37) ADORA2AADORA2BAHCYHINT1
SCHEMBL10709115 0.78 ADORA2A (0.45) ADORA2AADORA2BHINT1ADORA3ADORA1
SCHEMBL11012860 0.78 HINT1 (0.39) ADORA2AADORA2BHINT1ADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820810-B2 Process for the synthesis of 2′-O-substituted purine nulceosides ISIS PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
US-20080234475-A1 PROCESS FOR THE SYNTHESIS OF 2'-O-SUBSTITUTED PURINES IONIS PHARMACEUTICALS, INC. 2008-09-25 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-20080234475-A1 PROCESS FOR THE SYNTHESIS OF 2'-O-SUBSTITUTED PURINES PNP, NUDT1, UMPS ADORA2A 53/4885ADORA2B 136/4885AHCY 194/4885

“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.