SCHEMBL17617641

SCHEMBL17617641

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.35
TLR7 Q9NYK1 4/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
SERPINA3 P01011 1/20 0.34
NR3C1 P04150 4/20 0.33
MAPT P10636 2/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
CTSL P07711 2/20 0.32
TP53 P04637 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
SCHEMBL17617642 0.89 FGFR1 (0.41) TLR9TLR7HSP90AA1HSP90AB1NR3C1
SCHEMBL19770643 0.88 TP53 (0.36) TLR9TLR7HSP90AA1HSP90AB1NR3C1
SCHEMBL18665248 0.88 POLB (0.38) TLR9TLR7HSP90AA1HSP90AB1SERPINA3
SCHEMBL7867774 0.78 HSP90AA1 (0.39) HSP90AA1HSP90AB1NR3C1MAPTCTSL
SCHEMBL24790410 0.77 NR3C1 (0.36) HSP90AA1HSP90AB1SERPINA3NR3C1
SCHEMBL2606971 0.75 HSP90AB1 (0.47) HSP90AA1HSP90AB1
SCHEMBL14175362 0.73 CDK1 (0.41) CDK5CDK5R1
SCHEMBL17617648 0.73 TLR9 (0.31) TLR9TLR7
SCHEMBL14175366 0.72 CCNB2 (0.35) CDK5CDK5R1
SCHEMBL14175374 0.72 CCNB2 (0.40) CDK5CDK5R1

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 7 patents. 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
US-9801884-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-31 US disclosed
WO-2017048956-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-23 WO disclosed
US-20170037068-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 US disclosed
US-9493493-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-15 US disclosed
US-20160083407-A1 NUCLEOTIDE ANALOGS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2016-03-24 US disclosed
WO-2016044281-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-24 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-20180015095-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD TLR9 744/4885TLR7 895/4885HSP90AA1 2377/4885
US-20160083407-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD TLR9 744/4885TLR7 895/4885HSP90AA1 2377/4885
US-20170037068-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD TLR9 744/4885TLR7 895/4885HSP90AA1 2377/4885

“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.