SCHEMBL17523599

SCHEMBL17523599

[2H]C1([2H])CCN(c2cccc(C(=O)Nc3ccncc3)n2)CCN1C1CCN(C2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
HRH3 Q9Y5N1 3/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KDR P35968 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
KIF18A Q8NI77 1/20 0.37
JAK2 O60674 1/20 0.37
CYP3A4 P08684 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL17523590 0.94 PTPN11 (0.44) HSD11B1HRH3PTPN11ALDH1A1MAPT
SCHEMBL30077118 0.92 HSD11B1 (0.50) HSD11B1HRH3PTPN11ALDH1A1MAPT
SCHEMBL15347563 0.92 HSD11B1 (0.50) HSD11B1HRH3PTPN11ALDH1A1MAPT
SCHEMBL17523575 0.90 HSD11B1 (0.44) HSD11B1HRH3PTPN11ALDH1A1MAPT
Usl-311 SCHEMBL17523594 0.89 HRH3 (0.43) HSD11B1HRH3PTPN11ALDH1A1IRAK4
SCHEMBL17523597 0.86 HSD11B1 (0.39) HSD11B1HRH3PTPN11IRAK4KIF18A
SCHEMBL17523596 0.86 HSD11B1 (0.39) HSD11B1HRH3PTPN11IRAK4KIF18A
SCHEMBL17523605 0.86 KDM4E (0.45) HSD11B1MAPTKMT2AKDM4EMEN1
SCHEMBL17523598 0.86 HSD11B1 (0.39) HSD11B1HRH3IRAK4
SCHEMBL17523585 0.84 HSD11B1 (0.39) HSD11B1HRH3PTPN11ALDH1A1KMT2A

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 HSD11B1 1779/4885HRH3 288/4885PTPN11 928/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HRH3 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.