SCHEMBL1667985

SCHEMBL1667985

COc1ccc(C(OC[C@]23O[C@@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)[C@H](O[C@@H]2C)[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 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
P2RY12 Q9H244 2/20 0.32
GAPDH P04406 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL1665982 1.00 TYMP (0.34) TYMPPRMT6ADORA2AADORA2BPRKAG1
SCHEMBL1665464 0.93 TYMP (0.35) TYMPPRMT6ADORA2AADORA2BPRKAG1
SCHEMBL15876526 0.92 TYMP (0.35) TYMPPRMT6ADORA2AADORA2BPRKAG1
SCHEMBL1096766 0.89 TYMP (0.34) TYMPPRMT6ADORA2AADORA2BPRKAG1
SCHEMBL29881527 0.89 TYMP (0.34) TYMPPRMT6ADORA2AADORA2BPRKAG1
SCHEMBL5558224 0.89 TYMP (0.34) TYMPPRMT6ADORA2AADORA2BPRKAG1
SCHEMBL25727 0.88 TYMP (0.33) TYMPPRMT6ADORA2AADORA2BPRKAG1
SCHEMBL20394008 0.86 TYMP (0.32) TYMPPRMT6ADORA2AADORA2BPRKAG1
SCHEMBL1665298 0.86 ABL1 (0.35)
SCHEMBL1665483 0.86 ABL1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022193-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2011-09-20 US disclosed
EP-2332951-A2 6-modified bicyclic nucleic acid analogs ISIS Pharmaceuticals, Inc. (US) 2011-06-15 EP disclosed
EP-2314594-A1 6-modified bicyclic nucleic acid analogs Isis Pharmaceuticals, Inc. (US) 2011-04-27 EP disclosed
EP-1984381-B1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2010-09-29 EP disclosed
US-20100216979-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-7741457-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-20090012281-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-7399845-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2008-07-15 US disclosed
US-20070249049-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS FOUNDATION MEDICINE, INC. 2007-10-25 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 (3 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-20090012281-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM TYMP 93/4885PRMT6 627/4885ADORA2A 264/4885
US-20070249049-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM TYMP 93/4885PRMT6 627/4885ADORA2A 264/4885
US-20100216979-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM TYMP 93/4885PRMT6 627/4885ADORA2A 264/4885

“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.