SCHEMBL2531599

SCHEMBL2531599

Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3OF)c2n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
NT5E P21589 1/20 0.63
HIF1A Q16665 1/20 0.63
ADORA2A P29274 7/20 0.60
ADORA2B P29275 4/20 0.60
ADORA3 P0DMS8 4/20 0.60
ADORA1 P30542 3/20 0.60
PDE2A O00408 1/20 0.60
ADRA1A P35348 1/20 0.60
PDE4D Q08499 1/20 0.60
PDE3A Q14432 1/20 0.60
CYP2C19 P33261 1/20 0.58
SLC29A1 Q99808 1/20 0.57

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
SCHEMBL6399918 0.89 ADORA2A (0.76) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL29135435 0.89 ADORA2A (0.76) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL29100469 0.89 ADORA2A (0.66) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL12150807 0.89 ADORA2A (0.66) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL29533297 0.89 ADORA2A (0.66) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL12031300 0.89 ADORA2A (0.66) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL12300482 0.89 ADORA2A (0.66) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL1527213 0.89 ADORA2A (0.66) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL1527211 0.89 ADORA2A (0.66) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL20473787 0.89 ADORA2A (0.66) LMNANT5EHIF1AADORA2AADORA2B

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-20110257244-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND SMALL MOLECULES FOR USE IN REDUCING MICRO RNA ACTIVITY LEVELS AND USES THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110065774-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF ALNYLAM PHARMACEUTICALS (US) 2011-03-17 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 (2 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-20110257244-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND SMALL MOLECULES FOR USE IN REDUCING MICRO RNA ACTIVITY LEVELS AND USES THEREOF AGO2, BCDIN3D, TRDMT1 LMNA 866/4885NT5E 344/4885HIF1A 1479/4885
US-20110065774-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF DCLRE1B, RNGTT, NSUN2 LMNA 3915/4885NT5E 32/4885HIF1A 2130/4885

“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.