SCHEMBL4501812

SCHEMBL4501812

O=c1[nH]c(-c2c(F)cccc2F)c(Cl)nc1-n1cccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.43
JAK2 O60674 1/20 0.43
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MAT2A P31153 2/20 0.35
ACLY P53396 1/20 0.35
ADORA2A P29274 2/20 0.35
NOTUM Q6P988 1/20 0.34
PDE4B Q07343 1/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NPC1 O15118 1/20 0.32
ERCC1 P07992 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
SCHEMBL4487964 0.74 JAK2 (0.40) TYK2JAK2KDM4AKDM4BKDM5C
SCHEMBL4882519 0.72 MAT2A (0.45) TYK2JAK2MAT2AACLYADORA2A
SCHEMBL3989631 0.69 JAK2 (0.39) TYK2JAK2MAT2AACLYADORA2A
SCHEMBL3986451 0.69 JAK2 (0.36) TYK2JAK2KDM5BMAT2AACLY
SCHEMBL3989442 0.66 NPBWR1 (0.41) TYK2JAK2MAPK1MAPT
SCHEMBL4882430 0.66 MAT2A (0.46) TYK2JAK2MAT2AADORA2ANOTUM
SCHEMBL3040246 0.65 PARP1 (0.43) TYK2JAK2KDM4AKDM4BKDM5C
SCHEMBL10161937 0.64 ADORA2A (0.38) TYK2JAK2MAT2AACLYADORA2A
SCHEMBL3380683 0.64 KEAP1 (0.55) TYK2JAK2MAT2AACLYADORA2A
SCHEMBL13385403 0.64 JAK2 (0.40) TYK2JAK2ACLYADORA2ANOTUM

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
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors E.I. DUPONT DE NEMOURS AND COMPANY (US) 2009-07-23 US disclosed
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 US disclosed
EP-1848711-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-31 EP disclosed
WO-2006089060-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-24 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 (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-20080194585-A1 Fungicidal Pyrazine Derivatives CBR3, CBR1, NR0B1 TYK2 2617/4885JAK2 3907/4885KDM4A 3870/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TYK2 3405/4885JAK2 2128/4885KDM4A 3492/4885

“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.