SCHEMBL4069697

SCHEMBL4069697

COc1ncc(C)c2nc(N)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
PDE10A Q9Y233 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CHEK1 O14757 1/20 0.35
MET P08581 1/20 0.35
LTK P29376 1/20 0.35
CDK9 P50750 1/20 0.35
PRKX P51817 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
NUDT1 P36639 3/20 0.35
HSP90AB1 P08238 7/20 0.35
HSP90AA1 P07900 4/20 0.34
TRAP1 Q12931 2/20 0.34
HSP90B1 P14625 1/20 0.34
JAK1 P23458 1/20 0.34
PDPK1 O15530 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
SCHEMBL841314 0.83 JAK2 (0.43) JAK2PDE10AKDM4EALDH1A1HPGD
SCHEMBL7859414 0.81 JAK2 (0.38) JAK2PDE10AKDM4EALDH1A1HPGD
SCHEMBL7865987 0.81 JAK2 (0.38) JAK2PDE10AKDM4EALDH1A1HPGD
SCHEMBL4063510 0.81 NUDT1 (0.38) JAK2PDE10AKDM4EALDH1A1HPGD
SCHEMBL2253889 0.79 NUDT1 (0.37) JAK2PDE10AKDM4EALDH1A1HPGD
SCHEMBL7867120 0.78 HSP90AB1 (0.42) JAK2PDE10AKDM4EHSP90AB1
SCHEMBL9641238 0.75
SCHEMBL2254257 0.72 NUDT1 (0.48) PDE10ANUDT1
SCHEMBL7870509 0.69 JAK1 (0.50) JAK2PDE10AKDM4EALDH1A1HPGD
SCHEMBL841386 0.67 HSP90AB1 (0.39) JAK2PDE10AHSP90AB1HSP90AA1

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
EP-1330458-B1 N-( 1,2,4 TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-06-03 EP disclosed
US-20020094935-A1 N-([1,2,4] triazoloazinyl) thiophenesulfonamide compounds and their use as herbicides DOW AGROSCIENCES LLC 2002-07-18 US disclosed
EP-0877745-B1 N-( 1,2,4] TRIAZOLOAZINYL)BENZENESULFONAMIDE AND PYRIDINESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-25 EP 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-20020094935-A1 N-([1,2,4] triazoloazinyl) thiophenesulfonamide compounds and their use as herbicides PNPO, NAT1, DDT JAK2 2415/4885PDE10A 4468/4885KDM4E 1222/4885

“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.