SCHEMBL18176950

SCHEMBL18176950

CC(C)(C)OC(=O)NCCNc1ncnc2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
LATS1 O95835 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
BRD4 O60885 1/20 0.41
ATM Q13315 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1369226 0.85 CA1 (0.41) STK17BSTK17AL3MBTL1NPSR1TDP1
SCHEMBL1370043 0.83 CA1 (0.49) STK17BSTK17AL3MBTL1NPSR1TDP1
SCHEMBL31421161 0.82 HTT (0.56) L3MBTL1MEN1KMT2AMAPT
SCHEMBL24653331 0.82 AURKA (0.40) L3MBTL1NPSR1CA1CA2
SCHEMBL23019062 0.82 CYP1A2 (0.44) TDP1
SCHEMBL13976379 0.80 BCHE (0.44) BCHESTK17BSTK17AL3MBTL1NPSR1
SCHEMBL23409026 0.80 BTK (0.50) BCHESTK17BSTK17ALATS1BRD4
SCHEMBL29729087 0.80 BTK (0.50) BCHESTK17BSTK17ALATS1BRD4
SCHEMBL13651687 0.77 MEN1 (0.37) NPSR1TDP1ATMMEN1KMT2A
SCHEMBL13651688 0.77 P2RY2 (0.45) L3MBTL1NPSR1TDP1ATMMEN1

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
US-20160311845-A1 NUCLEOTIDE DERIVATIVE OR SALT THEREOF, NUCLEOTIDE-DERIVED 5'-PHOSPHATE ESTER OR SALT THEREOF, NUCLEOTIDE-DERIVED 3'-PHOSPHORAMIDITE COMPOUND OR SALT THEREOF, AND POLYNUCLEOTIDE NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2016-10-27 US disclosed
US-20160311845-A1 NUCLEOTIDE DERIVATIVE OR SALT THEREOF, NUCLEOTIDE-DERIVED 5'-PHOSPHATE ESTER OR SALT THEREOF, NUCLEOTIDE-DERIVED 3'-PHOSPHORAMIDITE COMPOUND OR SALT THEREOF, AND POLYNUCLEOTIDE NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2016-10-27 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-20160311845-A1 NUCLEOTIDE DERIVATIVE OR SALT THEREOF, NUCLEOTIDE-DERIVED 5'-PHOSPHATE ESTER OR SALT THEREOF, NUCLEOTIDE-DERIVED 3'-PHOSPHORAMIDITE COMPOUND OR SALT THEREOF, AND POLYNUCLEOTIDE NT5C3B, PNP, NUDT1 BCHE 3665/4885STK17B 2231/4885STK17A 2341/4885

“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.