SCHEMBL2026657

SCHEMBL2026657

N/N=C(\N)c1cccc(/C(N)=N/N)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH4 Q9H3N8 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
PIM1 P11309 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 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
SCHEMBL2026659 1.00 KDM4E (0.42) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2027604 0.89 ECE1 (0.35) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2027602 0.89 ECE1 (0.35) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL3708925 0.85 P2RX7 (0.50) KDM4EMEN1KMT2A
SCHEMBL3708926 0.85 P2RX7 (0.50) KDM4EMEN1KMT2A
SCHEMBL12560610 0.75 KDM4E (0.54) KDM4ETDP1KMT2A
SCHEMBL834329 0.75 KDM4E (0.54) KDM4ETDP1KMT2A
SCHEMBL1428592 0.75 KDM4E (0.54) KDM4ETDP1KMT2A
SCHEMBL28971368 0.73 KDM4E (0.41) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL3373490 0.72 PIM1 (0.49) KDM4EALOX15TSHRACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516378-B1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION UNIV READING (GB) 2014-01-22 EP disclosed
EP-2516378-B1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION UNIV READING (GB) 2014-01-22 EP disclosed
EP-2516378-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION The University of Reading (GB) 2012-10-31 EP disclosed
US-20120264935-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION THE UNIVERSITY OF READING (GB) 2012-10-18 US disclosed
US-20120264935-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION THE UNIVERSITY OF READING (GB) 2012-10-18 US disclosed
US-20120264935-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION THE UNIVERSITY OF READING (GB) 2012-10-18 US disclosed
WO-2011077081-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION THE UNIVERSITY OF READING (GB) 2011-06-30 WO disclosed
WO-2011077081-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION THE UNIVERSITY OF READING (GB) 2011-06-30 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 (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-20120264935-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION ENO1, DIAPH1, DBN1 KDM4E 672/4885ALOX15 1299/4885TSHR 2312/4885

“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.