SCHEMBL16040569

SCHEMBL16040569

C[C@@H](O)[C@@H](CO)Cn1cnc2c(N)ncnc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.72
▸ ADORA1 P30542 4/20 0.72
▸ AHCY P23526 10/20 0.71
▸ ALDH1A1 P00352 1/20 0.60
▸ PI4KA P42356 2/20 0.56
▸ PI4K2B Q8TCG2 2/20 0.56
▸ PI4K2A Q9BTU6 2/20 0.56
▸ PI4KB Q9UBF8 2/20 0.56
▸ CYP3A4 P08684 1/20 0.55
▸ ADORA2B P29275 1/20 0.54

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
SCHEMBL5180861 0.89 AHCY (0.74) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL28855667 0.86 ADORA2A (0.97) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL904363 0.84 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL29496348 0.84 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL5810639 0.84 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL1393316 0.84 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
(S)-Dhpa SCHEMBL936286 0.83 AHCY (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
(S)-Dhpa SCHEMBL936287 0.83 AHCY (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
(S)-Dhpa SCHEMBL28605202 0.83 AHCY (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL16504492 0.82 ADORA2A (0.74) ADORA2AADORA1AHCYALDH1A1PI4KA

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-9169256-B2 Artificial nucleic acids ELITECHGROUP B.V. (NL) 2015-10-27 — — US disclosed
US-20140275508-A1 ARTIFICIAL NUCLEIC ACIDS ELITECH HOLDING B.V. (NL) 2014-09-18 — — 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-20140275508-A1 ARTIFICIAL NUCLEIC ACIDS NSUN2, POLRMT, NSUN3 ADORA2A 339/4885ADORA1 386/4885AHCY 2051/4885

“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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