SCHEMBL19770643

SCHEMBL19770643

COc1ccc(C(Nc2nc(Cl)c3ncn(CCOCP(C)(=O)O)c3n2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
TLR9 Q9NR96 4/20 0.36
TLR7 Q9NYK1 4/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
FGFR1 P11362 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
POLB P06746 4/20 0.35
NR3C1 P04150 2/20 0.34
POLA1 P09884 1/20 0.34
POLG P54098 1/20 0.34
NSD3 Q9BZ95 1/20 0.33

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
SCHEMBL17617642 0.94 FGFR1 (0.41) TP53MAPTTLR9TLR7HSP90AA1
SCHEMBL18665248 0.91 POLB (0.38) TP53MAPTTLR9TLR7HSP90AA1
SCHEMBL17617641 0.88 TLR9 (0.35) TP53MAPTTLR9TLR7HSP90AA1
SCHEMBL7867774 0.81 HSP90AA1 (0.39) MAPTHSP90AA1HSP90AB1NR3C1
SCHEMBL17617648 0.74 TLR9 (0.31) TLR9TLR7
SCHEMBL9583524 0.73 CDK2 (0.41)
SCHEMBL7161328 0.72 FGFR1 (0.52) FGFR1SLC22A6POLBPOLA1POLG
SCHEMBL7867908 0.72 PTGS2 (0.42)
SCHEMBL9583064 0.70 CDK5 (0.38) TP53MAPT
SCHEMBL21317387 0.66 CDK2 (0.39) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015095-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-01-18 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-20180015095-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD TP53 102/4885MAPT 4876/4885TLR9 744/4885

“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.