SCHEMBL2221683

SCHEMBL2221683

CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.59
▸ ADORA1 P30542 5/20 0.59
▸ SLC29A1 Q99808 4/20 0.59
▸ ADORA3 P0DMS8 6/20 0.59
▸ TP53 P04637 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ NFKB1 P19838 3/20 0.57
▸ TSHR P16473 3/20 0.57
▸ THPO P40225 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ PMP22 Q01453 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ RXFP1 Q9HBX9 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ LMNA P02545 2/20 0.56

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
SCHEMBL2221692 1.00 ADORA2A (0.59) ADORA2AADORA1SLC29A1ADORA3TP53
SCHEMBL6892346 0.91 ADORA1 (0.58) ADORA2AADORA1SLC29A1ADORA3TP53
SCHEMBL6899526 0.91 ADORA1 (0.58) ADORA2AADORA1SLC29A1ADORA3TP53
SCHEMBL26298122 0.86 ADORA1 (0.57) ADORA2AADORA1SLC29A1ADORA3ADORA2B
SCHEMBL31685589 0.86 MEN1 (0.69) ADORA2AADORA1SLC29A1ADORA3ADORA2B
SCHEMBL2220567 0.84 SLC29A1 (0.65) ADORA2AADORA1SLC29A1ADORA3TP53
SCHEMBL2220562 0.84 SLC29A1 (0.65) ADORA2AADORA1SLC29A1ADORA3TP53
SCHEMBL31063604 0.84 SLC29A1 (0.55) ADORA2AADORA1SLC29A1ADORA2B
SCHEMBL6899430 0.83 ADORA1 (0.56) ADORA2AADORA1SLC29A1ADORA3TP53
SCHEMBL6899424 0.83 ADORA1 (0.56) ADORA2AADORA1SLC29A1ADORA3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 — — US claimed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 — — US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 — — US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 — — US disclosed
EP-2513337-A1 A METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS Merck Sharp & Dohme Corp. (US) 2012-10-24 — — EP disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 — — US disclosed
WO-2011084345-A1 A METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — 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-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE ADORA2A 615/4885ADORA1 1080/4885SLC29A1 514/4885

“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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