SCHEMBL5168281

SCHEMBL5168281

O=C(OCc1ccccc1)N1CCCC(n2cc(-c3ccccc3OCc3ccccc3)nc(Br)c2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GABRA5 P31644 1/20 0.38
LCK P06239 2/20 0.38
CYP2C19 P33261 1/20 0.38
GRIN2B Q13224 2/20 0.37
PDE4B Q07343 1/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL14540211 0.90 JAK2 (0.41) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL5168143 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL5163778 0.79 ALDH1A1 (0.42) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL5164188 0.78 SMN1; SMN2 (0.45) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL14540287 0.75 JAK2 (0.42) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29641143 0.73 L3MBTL1 (0.55) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29138124 0.70 SMN1; SMN2 (0.56) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL4512387 0.70 SMN1; SMN2 (0.51) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL20986555 0.70 GRM5 (0.43) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL12815027 0.69 SMN1; SMN2 (0.50) JAK2JAK1TYK2JAK3SMN1; SMN2

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 JAK2 35/4885JAK1 200/4885TYK2 112/4885

“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.