SCHEMBL17523588

SCHEMBL17523588

[2H]C1([2H])CCN(C2CCN([C@H](C)CC)CC2)CCN1c1cccc(C(=O)Nc2ccncc2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PTPN11 Q06124 1/20 0.36
HSD11B1 P28845 2/20 0.36
OGA O60502 1/20 0.35
JAK2 O60674 1/20 0.35
ACKR3 P25106 3/20 0.34
KIF18A Q8NI77 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 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
SCHEMBL17523589 1.00 IRAK4 (0.38) IRAK4HRH3PTPN11HSD11B1OGA
SCHEMBL17523597 0.94 HSD11B1 (0.39) IRAK4HRH3PTPN11HSD11B1OGA
SCHEMBL17523596 0.94 HSD11B1 (0.39) IRAK4HRH3PTPN11HSD11B1OGA
SCHEMBL30077146 0.93 HSD11B1 (0.41) IRAK4HRH3PTPN11HSD11B1OGA
SCHEMBL15347418 0.93 HSD11B1 (0.41) IRAK4HRH3PTPN11HSD11B1OGA
SCHEMBL23282469 0.93 HSD11B1 (0.41) IRAK4HRH3PTPN11HSD11B1OGA
SCHEMBL15347211 0.93 HSD11B1 (0.41) IRAK4HRH3PTPN11HSD11B1OGA
SCHEMBL30077052 0.93 HSD11B1 (0.41) IRAK4HRH3PTPN11HSD11B1OGA
Usl-311 SCHEMBL17523587 0.92 HRH3 (0.39) IRAK4HRH3PTPN11HSD11B1OGA
SCHEMBL17523591 0.88 ACKR3 (0.38) IRAK4HRH3PTPN11HSD11B1OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 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 (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-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 IRAK4 1107/4885HRH3 288/4885PTPN11 928/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 IRAK4 1107/4885HRH3 288/4885PTPN11 928/4885

“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.