SCHEMBL3986451

SCHEMBL3986451

CC(C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ADORA1 P30542 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
GNRHR P30968 1/20 0.34
ACLY P53396 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
TSHR P16473 2/20 0.32
NPBWR1 P48145 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4745803 0.91 KCNH2 (0.35) SMN1; SMN2ALDH1A1ADORA1ADORA2AADORA2B
SCHEMBL4501834 0.88 ALDH1A1 (0.38) JAK2TYK2SMN1; SMN2ALDH1A1ADORA1
SCHEMBL3989599 0.87 JAK2 (0.39) JAK2TYK2SMN1; SMN2ALDH1A1ADORA1
SCHEMBL3989442 0.82 NPBWR1 (0.41) JAK2TYK2SMN1; SMN2ALDH1A1ADORA3
SCHEMBL4489281 0.82 KCNH2 (0.34) SMN1; SMN2LMNAKDM5BTSHR
SCHEMBL3986727 0.82 USP1 (0.38) SMN1; SMN2ALDH1A1ADORA3NPSR1LMNA
SCHEMBL3986121 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1ADORA2BGNRHRMEN1
SCHEMBL4745295 0.81 KDM4E (0.32) ADORA3
SCHEMBL4481630 0.80 ACLY (0.31) ALDH1A1ACLYTSHR
SCHEMBL4492304 0.80 ACLY (0.31) ALDH1A1ACLYTSHR

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 9 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-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
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 JAK2 3907/4885TYK2 2617/4885SMN1; SMN2 3995/4885
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 3405/4885SMN1; SMN2 3158/4885

“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.