SCHEMBL3989631

SCHEMBL3989631

CC(C)=Nn1c(-c2c(F)cccc2F)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
ACLY P53396 1/20 0.35
FGFR1 P11362 1/20 0.32
MAT2A P31153 2/20 0.31
PDE4B Q07343 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
HTR1A P08908 1/20 0.30
PKM P14618 1/20 0.30
KAT6A Q92794 1/20 0.30

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 0.80 JAK2 (0.40) JAK2TYK2ACLYMAT2APDE4B
SCHEMBL4882519 0.78 MAT2A (0.45) JAK2TYK2ACLYMAT2AADORA2A
SCHEMBL3986451 0.77 JAK2 (0.36) JAK2TYK2ACLYMAT2AADORA2A
SCHEMBL3989442 0.73 NPBWR1 (0.41) JAK2TYK2MAPK1
SCHEMBL4882430 0.70 MAT2A (0.46) JAK2TYK2MAT2AADORA2ANPC1
SCHEMBL4877684 0.69 MAT2A (0.39) JAK2TYK2MAT2AMAPK1KAT6A
SCHEMBL4501812 0.69 TYK2 (0.43) JAK2TYK2ACLYFGFR1MAT2A
SCHEMBL4745803 0.67 KCNH2 (0.35) MAT2AADORA2AADORA2BADORA1MAPK1
SCHEMBL4501834 0.67 ALDH1A1 (0.38) JAK2TYK2ADORA2AADORA2BADORA1
SCHEMBL4492304 0.66 ACLY (0.31) ACLY

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
EP-2034993-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 EP disclosed
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 US disclosed
WO-2007149448-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 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 JAK2 3907/4885TYK2 2617/4885ACLY 2239/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 JAK2 2128/4885TYK2 3405/4885ACLY 3431/4885

“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.