SCHEMBL13429418

SCHEMBL13429418

Nc1ncnc2c1ncn2[C@@H]1O[C@@]2(CO)COC1[C@H]2O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.59
▸ ADORA2A P29274 3/20 0.53
▸ PI4KA P42356 2/20 0.53
▸ PI4K2B Q8TCG2 2/20 0.53
▸ PI4K2A Q9BTU6 2/20 0.53
▸ PI4KB Q9UBF8 2/20 0.53
▸ SLC28A1 O00337 2/20 0.53
▸ SLC28A2 O43868 2/20 0.53
▸ DPP4 P27487 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAP3K7 O43318 1/20 0.53
▸ GAPDH P04406 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ADORA2B P29275 1/20 0.53
▸ ADORA1 P30542 1/20 0.53
▸ STAT6 P42226 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ DOT1L Q8TEK3 1/20 0.53
▸ SLC29A1 Q99808 1/20 0.53

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
SCHEMBL13429427 1.00 ADORA3 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL19258528 1.00 ADORA3 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL13456716 1.00 ADORA3 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL858866 1.00 ADORA3 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL5995916 1.00 ADORA3 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL29381813 1.00 ADORA3 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL23547977 1.00 ADORA3 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL859095 1.00 ADORA3 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL22112122 0.89 PI4K2A (0.53) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL14946285 0.89 PI4K2A (0.53) ADORA3ADORA2API4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912318-B2 Nucleobase-functionalized conformationally restricted nucleotides and oligonucleotides for targeting nucleic acids UNIVERSITY OF IDAHO (US) 2014-12-16 — — US disclosed
US-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-16 — — US disclosed
US-20120295862-A1 NUCLEOBASE-FUNCTIONALIZED CONFORMATIONALLY RESTRICTED NUCLEOTIDES AND OLIGONUCLEOTIDES FOR TARGETING OF NUCLEIC ACIDS The Univeristy of Idaho 2012-11-22 — — US disclosed
US-20100062994-A1 Adenosine Receptor Antagonists SANTARIS PHARMA A/S (DK) 2010-03-11 — — 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 (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-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 ADORA3 103/4885ADORA2A 85/4885PI4KA 2533/4885
US-20120295862-A1 NUCLEOBASE-FUNCTIONALIZED CONFORMATIONALLY RESTRICTED NUCLEOTIDES AND OLIGONUCLEOTIDES FOR TARGETING OF NUCLEIC ACIDS NT5C3B, UNG, NT5C2 ADORA3 201/4885ADORA2A 145/4885PI4KA 4589/4885
US-20100062994-A1 Adenosine Receptor Antagonists ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885PI4KA 1606/4885

“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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