SCHEMBL2611652

SCHEMBL2611652

C=CCOC1CC(n2cc(C#CCC)c3c(N)ncnc32)OC1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 3/20 0.42
DOT1L Q8TEK3 1/20 0.42
CA2 P00918 3/20 0.42
FGFR2 P21802 8/20 0.37
PRMT5 O14744 3/20 0.35
METTL3 Q86U44 2/20 0.35
NPC1 O15118 1/20 0.35
GALR3 O60755 1/20 0.35
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
UBA1 P22314 1/20 0.34
NAE1 Q13564 1/20 0.34
UBA3 Q8TBC4 1/20 0.34

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
SCHEMBL18307354 0.91 ADK (0.44) ADKDOT1LCA2FGFR2PRMT5
SCHEMBL2611654 0.87 CA2 (0.41) ADKDOT1LCA2FGFR2PRMT5
SCHEMBL10022897 0.86 CA2 (0.41) ADKDOT1LCA2FGFR2PRMT5
SCHEMBL887484 0.86 CA2 (0.41) ADKDOT1LCA2FGFR2PRMT5
SCHEMBL12047379 0.86 CA2 (0.41) ADKDOT1LCA2FGFR2PRMT5
SCHEMBL2611653 0.85 CA2 (0.31) ADKCA2
SCHEMBL2611617 0.84 CA2 (0.52) ADKDOT1LCA2PRMT5METTL3
SCHEMBL20748424 0.84 ADK (0.48) ADKDOT1LCA2PRMT5METTL3
SCHEMBL2611651 0.83 ADK (0.52) ADKDOT1LRAB9A
SCHEMBL10022898 0.83 ADK (0.52) ADKDOT1LRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388464-B2 Modified nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2016-07-12 US disclosed
US-20160032378-A1 MODIFIED NUCLEOTIDES SOLEXA LIMITED (GB) 2016-02-04 US disclosed
US-9121060-B2 Modified nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2015-09-01 US disclosed
US-20130197209-A1 MODIFIED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2013-08-01 US disclosed
US-20120095201-A1 MODIFIED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2012-04-19 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 (2 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-20130197209-A1 MODIFIED NUCLEOTIDES ADAR, NT5C2, NSUN2 ADK 167/4885DOT1L 561/4885CA2 1770/4885
US-20120095201-A1 MODIFIED NUCLEOTIDES RNMT, NSUN2, NSUN3 ADK 123/4885DOT1L 1647/4885CA2 3829/4885

“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.