SCHEMBL2220833

SCHEMBL2220833

OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C(OCc2ccc(Br)cc2)C1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.58
▸ SLC29A1 Q99808 7/20 0.58
▸ ADORA2A P29274 7/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SLC28A1 O00337 1/20 0.48
▸ MAP3K7 O43318 1/20 0.48
▸ SLC28A2 O43868 1/20 0.48
▸ GAPDH P04406 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ STAT6 P42226 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ DOT1L Q8TEK3 1/20 0.48
▸ PI4K2A Q9BTU6 1/20 0.48
▸ SLC28A3 Q9HAS3 1/20 0.48

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
SCHEMBL2220825 1.00 ADORA1 (0.58) ADORA1SLC29A1ADORA2AADORA3DPP4
SCHEMBL2220562 0.90 SLC29A1 (0.65) ADORA1SLC29A1ADORA2AADORA3MAPK1
SCHEMBL2220567 0.90 SLC29A1 (0.65) ADORA1SLC29A1ADORA2AADORA3MAPK1
SCHEMBL2218916 0.90 SLC29A1 (0.54) ADORA1SLC29A1ADORA2AADORA3DPP4
SCHEMBL2218911 0.90 SLC29A1 (0.54) ADORA1SLC29A1ADORA2AADORA3DPP4
SCHEMBL12803364 0.88 SLC29A1 (0.51) ADORA1SLC29A1ADORA2AADORA3DPP4
SCHEMBL12803361 0.88 SLC29A1 (0.51) ADORA1SLC29A1ADORA2AADORA3DPP4
SCHEMBL12803576 0.85 SLC29A1 (0.59) ADORA1SLC29A1ADORA2AADORA3
SCHEMBL12803573 0.85 SLC29A1 (0.59) ADORA1SLC29A1ADORA2AADORA3
SCHEMBL2220187 0.85 SLC29A1 (0.48) ADORA1SLC29A1ADORA2AADORA3DPP4

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 ADORA1 1080/4885SLC29A1 514/4885ADORA2A 615/4885

“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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