SCHEMBL2027604

SCHEMBL2027604

NN=C(N)c1cccc(-c2cccc(C(N)=NN)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.35
CCR1 P32246 2/20 0.34
CCR8 P51685 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
HSP90AA1 P07900 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PADI1 Q9ULC6 1/20 0.33
PADI3 Q9ULW8 1/20 0.33
PADI4 Q9UM07 1/20 0.33
PADI2 Q9Y2J8 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL2027602 1.00 ECE1 (0.35) ECE1CCR1CCR8KDM4EALOX15
SCHEMBL2026657 0.89 KDM4E (0.42) KDM4EALOX15TDP1TSHRACMSD
SCHEMBL2026659 0.89 KDM4E (0.42) KDM4EALOX15TDP1TSHRACMSD
SCHEMBL3708925 0.79 P2RX7 (0.50) CCR1CCR8KDM4EHSP90AA1
SCHEMBL3708926 0.79 P2RX7 (0.50) CCR1CCR8KDM4EHSP90AA1
SCHEMBL1770237 0.73 F10 (0.39) ECE1CCR1CCR8KDM4EALOX15
SCHEMBL9792815 0.73 CCR1 (0.37) ECE1CCR1CCR8KDM4EALOX15
SCHEMBL9792961 0.73 PIM1 (0.50) ECE1KDM4EALOX15TDP1TSHR
Hydrochloric Acid SCHEMBL9792874 0.71 BLM (0.39) ECE1CCR1CCR8HTTSCN9A
SCHEMBL834329 0.70 KDM4E (0.54) KDM4ETDP1LMNATP53SMN1; SMN2

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 4 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-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
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 ECE1 609/4885CCR1 2389/4885CCR8 1514/4885

“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.