SCHEMBL5166679

SCHEMBL5166679

COc1ccc(CNc2nc(-c3cc(F)ccc3O)cn(C3CCCN(C(=O)OCc4ccccc4)C3)c2=O)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.38
AADAT Q8N5Z0 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CG P48736 1/20 0.36
TLR9 Q9NR96 2/20 0.36
KMT2A Q03164 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PDE4B Q07343 1/20 0.36
BCL9 O00512 1/20 0.36

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
SCHEMBL14414801 0.93 ALDH1A1 (0.40) ALDH1A1TP53AADATPTGDR2MAPT
SCHEMBL5163778 0.90 ALDH1A1 (0.42) ALDH1A1TP53AADATPTGDR2MAPT
SCHEMBL5164865 0.86 ALDH1A1 (0.45) ALDH1A1TP53AADATMAPTPOLB
SCHEMBL5477257 0.80 PDE9A (0.41) ALDH1A1MAPTPOLBTSHRLMNA
SCHEMBL5168067 0.74 TLR9 (0.42) ALDH1A1MAPTPOLBTSHRLMNA
SCHEMBL14540211 0.70 JAK2 (0.41) ALDH1A1TSHRCYP2C19SMN1; SMN2KMT2A
SCHEMBL14637654 0.70 ALDH1A1 (0.43) ALDH1A1TP53MAPTTSHRPIK3CG
SCHEMBL5168281 0.69 JAK2 (0.41) ALDH1A1PTGDR2MAPTLMNACYP2C19
SCHEMBL14654194 0.69 ALDH1A1 (0.42) ALDH1A1TP53MAPTTSHRLMNA
SCHEMBL14654107 0.69 ALDH1A1 (0.42) ALDH1A1TP53MAPTTSHRLMNA

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-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-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 1071/4885AADAT 2900/4885

“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.