SCHEMBL5164865

SCHEMBL5164865

COc1ccc(CNc2nc(Cl)cn(C3CCCN(C(=O)OCc4ccccc4)C3)c2=O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.40
PDE4B Q07343 1/20 0.40
PIK3CG P48736 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE9A O76083 2/20 0.39
AADAT Q8N5Z0 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL5163778 0.89 ALDH1A1 (0.42) ALDH1A1TP53KMT2APDE4BPIK3CG
SCHEMBL14414801 0.86 ALDH1A1 (0.40) ALDH1A1TP53KMT2APDE4BPIK3CG
SCHEMBL5166679 0.86 ALDH1A1 (0.40) ALDH1A1TP53KMT2APDE4BPIK3CG
SCHEMBL5164188 0.78 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2NPSR1MEN1
SCHEMBL14540287 0.77 JAK2 (0.42) KMT2ASMN1; SMN2NPSR1MEN1
SCHEMBL14654107 0.76 ALDH1A1 (0.42) ALDH1A1TP53KMT2APDE4BPIK3CG
SCHEMBL14637654 0.74 ALDH1A1 (0.43) ALDH1A1TP53KMT2APDE4BPIK3CG
SCHEMBL14654194 0.73 ALDH1A1 (0.42) ALDH1A1TP53KMT2APDE4BPIK3CG
SCHEMBL5168067 0.72 TLR9 (0.42) ALDH1A1KMT2ATSHRPOLBMAPT
SCHEMBL15913881 0.72 TNK2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP disclosed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP disclosed
EP-1678164-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP disclosed
WO-2005035527-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-21 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-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation CNKSR1, IL1RN, CHUK ALDH1A1 945/4885TP53 1071/4885KMT2A 3420/4885

“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.