SCHEMBL3992001

SCHEMBL3992001

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
METAP2 P50579 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MAT2A P31153 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
TGM2 P21980 1/20 0.35
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1074544 0.85 KDM4E (0.35) FAAHMGLLIDO1TDO2DHODH
SCHEMBL3917260 0.85 MAPT (0.39) TGM2MAPTNOTUM
SCHEMBL1074563 0.83 NOTUM (0.37) ALDH1A1LMNAHPGDNOTUMGLA
SCHEMBL4877684 0.82 MAT2A (0.39) MAT2ATHRBLMNAMAPTMAPK1
SCHEMBL18707647 0.76 NOTUM (0.39) ALDH1A1NPC1LMNAMAPTHPGD
SCHEMBL1074038 0.76 KDM4E (0.34) FAAHMGLLIDO1TDO2TGM2
SCHEMBL1075411 0.75 NOTUM (0.37) FAAHMGLLMAT2AALDH1A1NPC1
SCHEMBL1907768 0.74 HSD17B10 (0.39) ALDH1A1LMNAHPGDNOTUMGLA
SCHEMBL1071650 0.73 CYP1A2 (0.35) TP53DHODHALDH1A1SMN1; SMN2ALDH1A2
SCHEMBL1075012 0.73 KDM4E (0.34) FAAHMGLLIDO1TDO2MAT2A

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-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 FAAH 4702/4885MGLL 4784/4885METAP2 4492/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FAAH 4273/4885MGLL 4879/4885METAP2 4841/4885

“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.