SCHEMBL4877684

SCHEMBL4877684

O=c1c(-n2cccn2)nc(Cl)c(-c2c(F)cc(F)cc2F)n1-c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.39
KEAP1 Q14145 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
GRM5 P41594 1/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
TGFBR1 P36897 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KAT6A Q92794 2/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPK10 P53779 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4882519 0.86 MAT2A (0.45) MAT2AJAK2TYK2MAPK1HTT
SCHEMBL4261005 0.84 HRH3 (0.35) MAT2AMEN1KMT2AHTTTGFBR1
SCHEMBL4497287 0.84 HTR2A (0.36) MAT2AMEN1KMT2ATGFBR1KDM4E
SCHEMBL13788904 0.83 MAT2A (0.42) MAT2AKEAP1MEN1KMT2AGRM5
SCHEMBL3992001 0.82 FAAH (0.38) MAT2AMAPK1HTTTGFBR1MAPT
SCHEMBL4882430 0.82 MAT2A (0.46) MAT2AJAK2TYK2MAPK1HTT
SCHEMBL1074544 0.76 KDM4E (0.35) KEAP1KDM4ELMNA
SCHEMBL3917260 0.75 MAPT (0.39) MEN1KMT2AMAPT
SCHEMBL4745803 0.75 KCNH2 (0.35) MAT2AMEN1KMT2AMAPK1HTT
SCHEMBL4487964 0.74 JAK2 (0.40) MAT2AJAK2TYK2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 US claimed
EP-1848711-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-31 EP claimed
WO-2006089060-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-24 WO claimed
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 (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-20080194585-A1 Fungicidal Pyrazine Derivatives CBR3, CBR1, NR0B1 MAT2A 4013/4885KEAP1 2785/4885MEN1 2439/4885

“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.