SCHEMBL2719823

SCHEMBL2719823

C=C[C@H](O)[C@@]12CO[C@@H]([C@H](n3cnc4c(N)ncnc43)O1)[C@@H]2OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.45
▸ AHCY P23526 4/20 0.43
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90B1 P14625 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42

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
SCHEMBL13813383 0.91 PI4KA (0.43) ADORA3AHCYPI4KAPI4K2BPI4K2A
SCHEMBL2718346 0.81 HPGD (0.43) ADORA3
SCHEMBL18520512 0.79 PI4KA (0.51) ADORA3AHCYPI4KAPI4K2BPI4K2A
SCHEMBL14512798 0.78 PI4KA (0.47) ADORA3AHCYPI4KAPI4K2BPI4K2A
SCHEMBL18520014 0.78 PI4KA (0.47) ADORA3AHCYPI4KAPI4K2BPI4K2A
SCHEMBL12377338 0.77 PI4KA (0.46) ADORA3AHCYPI4KAPI4K2BPI4K2A
SCHEMBL12360852 0.77 PI4KA (0.46) ADORA3AHCYPI4KAPI4K2BPI4K2A
SCHEMBL19840286 0.77 PI4KA (0.46) ADORA3AHCYPI4KAPI4K2BPI4K2A
SCHEMBL16587675 0.76 GAA (0.46) ADORA3AHCYPI4KAPI4K2BPI4K2A
SCHEMBL23618922 0.76 PI4KA (0.43) ADORA3AHCYPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268980-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
US-8088746-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-01-03 — — US disclosed
US-8030467-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2011-10-04 — — US disclosed
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2010-07-22 — — US disclosed
US-7750131-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-07-06 — — US disclosed
US-20100121045-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2010-05-13 — — US disclosed
US-7666854-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-02-23 — — US disclosed
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2009-07-30 — — US disclosed
US-7547684-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-06-16 — — US disclosed
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC 2007-12-13 — — 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 (5 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-20100121045-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, ADAR, POLRMT ADORA3 414/4885AHCY 584/4885PI4KA 2682/4885
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR ADORA3 189/4885AHCY 1125/4885PI4KA 2338/4885
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR ADORA3 189/4885AHCY 1125/4885PI4KA 2338/4885
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR ADORA3 189/4885AHCY 1125/4885PI4KA 2338/4885
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR ADORA3 189/4885AHCY 1125/4885PI4KA 2338/4885

“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.

Send feedback