SCHEMBL2563457

SCHEMBL2563457

COc1ccc(C(OC[C@@H](O)Cn2cnc3c(N=CN(C)C)ncnc32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 3/20 0.40
HPGD P15428 1/20 0.40
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
TYMP P19971 1/20 0.34
NSD3 Q9BZ95 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AHCY P23526 1/20 0.32
ADORA2A P29274 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IDO1 P14902 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
SCHEMBL2563455 1.00 CTSK (0.47) CTSKCA2CA4CA9CA1
SCHEMBL2563452 1.00 CTSK (0.47) CTSKCA2CA4CA9CA1
SCHEMBL14955225 0.84 HPGD (0.41) CTSKCA2CA4CA9CA1
SCHEMBL14955226 0.84 HPGD (0.41) CTSKCA2CA4CA9CA1
SCHEMBL2577682 0.83 CTSK (0.50) CTSKHPGDTYMP
SCHEMBL2577678 0.83 CTSK (0.50) CTSKHPGDTYMP
SCHEMBL2577674 0.83 CTSK (0.50) CTSKHPGDTYMP
SCHEMBL2567895 0.83 NSD3 (0.52) HPGDNSD3AHCYADORA2ASMN1; SMN2
SCHEMBL14955424 0.83 NSD3 (0.52) HPGDNSD3AHCYADORA2ASMN1; SMN2
SCHEMBL8540429 0.75 TYMP (0.64) TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087219-A1 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS ALNYLAM PHARMACEUTICALS INC (US) 2021-03-25 US disclosed
US-10913767-B2 Oligonucleotides comprising acyclic and abasic nucleosides and analogs ALNYLAM PHARMACEUTICALS, INC. (US) 2021-02-09 US disclosed
US-20130130378-A1 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
WO-2011133876-A2 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-27 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 (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-10913767-B2 Oligonucleotides comprising acyclic and abasic nucleosides and analogs NSUN2, BCDIN3D, ADAR CTSK 4410/4885CA2 3603/4885CA4 3247/4885
US-20130130378-A1 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS ADAR, TYMS, POLM CTSK 3939/4885CA2 3740/4885CA4 2779/4885
US-20210087219-A1 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS NSUN2, BCDIN3D, RNGTT CTSK 4541/4885CA2 3687/4885CA4 2332/4885

“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.