SCHEMBL211495

SCHEMBL211495

COc1ccc(C(O[C@H](C)[C@@]23CO[C@@H]([C@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)O2)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.33
ADORA3 P0DMS8 3/20 0.33
ADORA1 P30542 3/20 0.33
PRMT6 Q96LA8 1/20 0.33
ADORA2A P29274 2/20 0.32
P2RY12 Q9H244 1/20 0.32
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31

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
SCHEMBL210112 1.00 ADORA2B (0.33) ADORA2BADORA3ADORA1PRMT6ADORA2A
SCHEMBL6514006 0.93 PRMT6 (0.33) ADORA2BADORA3ADORA1PRMT6ADORA2A
SCHEMBL1096766 0.90 TYMP (0.34) ADORA2BADORA3PRMT6ADORA2AP2RY12
SCHEMBL5558224 0.90 TYMP (0.34) ADORA2BADORA3PRMT6ADORA2AP2RY12
SCHEMBL29881527 0.90 TYMP (0.34) ADORA2BADORA3PRMT6ADORA2AP2RY12
SCHEMBL211959 0.88 ADORA2A (0.32) ADORA2BADORA3ADORA1PRMT6ADORA2A
SCHEMBL19814045 0.87 PRMT6 (0.33) ADORA2BADORA3PRMT6ADORA2AP2RY12
SCHEMBL19825361 0.87 PRMT6 (0.33) ADORA2BADORA3PRMT6ADORA2AP2RY12
SCHEMBL25727 0.87 TYMP (0.33) ADORA2BPRMT6ADORA2AP2RY12PRKAG1
SCHEMBL14856647 0.86 ADORA2B (0.33) ADORA2BADORA3ADORA1PRMT6ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376516-B1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed
EP-2066684-B1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2012-07-18 EP 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-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2009-06-18 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 ADORA2B 386/4885ADORA3 414/4885ADORA1 499/4885
US-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, ADAR, POLRMT ADORA2B 386/4885ADORA3 414/4885ADORA1 499/4885
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR ADORA2B 344/4885ADORA3 189/4885ADORA1 290/4885
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR ADORA2B 344/4885ADORA3 189/4885ADORA1 290/4885
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR ADORA2B 344/4885ADORA3 189/4885ADORA1 290/4885

“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.