SCHEMBL20130428

SCHEMBL20130428

CCCCNc1ncnc(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.53
TLR7 Q9NYK1 4/20 0.53
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 3/20 0.46
S1PR2 O95136 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAF1 P04049 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
NFKB1 P19838 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL20130427 0.89 POLB (0.56) TLR8TLR7SMN1; SMN2LMNAS1PR2
SCHEMBL16090164 0.80 KDM4E (0.43) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL26173801 0.75 TLR7 (0.40) TLR8TLR7SMN1; SMN2LMNAS1PR2
SCHEMBL16090155 0.74 POLB (0.35) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL14516262 0.73 TLR8 (0.47) TLR8TLR7NPSR1KDM4E
SCHEMBL23472180 0.73 ALDH1A1 (0.43) TLR8TLR7SMN1; SMN2LMNAS1PR2
SCHEMBL11841747 0.73 CCNB2 (0.51) TLR8TLR7SMN1; SMN2LMNAS1PR2
SCHEMBL11100839 0.72 LMNA (0.42) SMN1; SMN2LMNANPSR1POLBMEN1
SCHEMBL23895417 0.72 TSHR (0.43) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL18519960 0.70 POLB (0.53) TLR8TLR7SMN1; SMN2LMNAS1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020206363-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ,INC. (US) 2020-10-08 WO disclosed
US-20180125937-A1 MODIFIED NUCLEOSIDE, NUCLEOTIDE, AND NUCLEIC ACID COMPOSITIONS MODERNATX, INC. (US) 2018-05-10 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 (1 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-20180125937-A1 MODIFIED NUCLEOSIDE, NUCLEOTIDE, AND NUCLEIC ACID COMPOSITIONS NSUN2, RNMT, NSUN3 TLR8 2090/4885TLR7 2096/4885SMN1; SMN2 171/4885

“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.