SCHEMBL5165023

SCHEMBL5165023

Nc1nc(-c2ccc(Br)cc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.39
CHUK O15111 1/20 0.39
HTR6 P50406 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
CAMK2D Q13557 1/20 0.36
TLR8 Q9NR97 1/20 0.35
ABL1 P00519 2/20 0.35
EGFR P00533 2/20 0.35
SRC P12931 2/20 0.35
ABL2 P42684 2/20 0.35
CDK2 P24941 2/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 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
SCHEMBL5165118 0.94 IKBKB (0.40) IKBKBCHUKHTR6HTR3EHTR3B
SCHEMBL5166958 0.88 HTR6 (0.41) IKBKBCHUKHTR6HTR3EHTR3B
SCHEMBL5165223 0.88 HTR2B (0.39) IKBKBCHUKHTR6HTR3EHTR3B
SCHEMBL5165177 0.88 IKBKB (0.40) IKBKBCHUKHTR3EHTR3BHTR2B
SCHEMBL5165119 0.86 IKBKB (0.50) IKBKBCHUKHTR6HTR3EHTR3B
SCHEMBL5167012 0.85 IKBKB (0.45) IKBKBCHUKHTR3EHTR3BHTR2B
SCHEMBL5164982 0.84 IKBKB (0.40) IKBKBCHUKHTR6HTR3EHTR3B
SCHEMBL5165853 0.84 IKBKB (0.40) IKBKBCHUKHTR3EHTR3BHTR2B
SCHEMBL5165902 0.84 IKBKB (0.40) IKBKBCHUKHTR6HTR3EHTR3B
SCHEMBL5167485 0.84 HTR3E (0.43) IKBKBCHUKHTR6HTR3EHTR3B

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 8 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 claimed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP claimed
EP-1678164-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
WO-2005035527-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-21 WO claimed
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

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 IKBKB 15/4885CHUK 3/4885HTR6 3137/4885

“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.