SCHEMBL5501017

SCHEMBL5501017

Nc1nc(OCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.76
▸ ADORA2B P29275 10/20 0.76
▸ ADORA3 P0DMS8 4/20 0.67
▸ ADORA1 P30542 4/20 0.65
▸ LMNA P02545 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ SLC29A1 Q99808 1/20 0.65

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
SCHEMBL5501004 1.00 ADORA2A (0.76) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL5492996 0.86 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5493006 0.86 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5499179 0.86 SLC29A1 (0.65) ADORA2BADORA3ADORA1LMNARAB9A
SCHEMBL11875079 0.82 ADORA3 (0.69) ADORA3LMNARAB9ACYP3A4PKM
SCHEMBL11875046 0.82 ADORA3 (0.69) ADORA3LMNARAB9ACYP3A4PKM
Bvt.115959 SCHEMBL5703538 0.81 ADORA3 (0.84) ADORA2AADORA2BADORA3ADORA1
SCHEMBL13863566 0.80 ADORA3 (1.00) ADORA2AADORA2BADORA3LMNA
SCHEMBL3749420 0.80 ADORA3 (1.00) ADORA2AADORA2BADORA3LMNA
SCHEMBL3749410 0.80 ADORA3 (1.00) ADORA2AADORA2BADORA3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446413-A4 SYNTHESIS OF 2-ARALKOXY ADENOSINES AND 2-ALKOXYADENOSINES KING PHARMACEUTICALS RES & DEV (US) 2007-10-17 — — EP disclosed
US-6951932-B2 Synthesis of 2-aralkoxyadenosines and 2-alkoxyadenosines KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2005-10-04 — — US disclosed
EP-1446413-A1 SYNTHESIS OF 2-ARALKOXY ADENOSINES AND 2-ALKOXYADENOSINES King Pharmaceuticals Research and Development Inc. (US) 2004-08-18 — — EP disclosed
US-20030199686-A1 Synthesis of 2-aralkoxyadenosines and 2-alkoxyadenosines KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-10-23 — — US disclosed
WO-2003035662-A1 SYNTHESIS OF 2-ARALKOXY ADENOSINES AND 2-ALKOXYADENOSINES KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2003-05-01 — — WO 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-20030199686-A1 Synthesis of 2-aralkoxyadenosines and 2-alkoxyadenosines AMPD2, ADAR, ADA ADORA2A 16/4885ADORA2B 58/4885ADORA3 36/4885

“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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