SCHEMBL5166958

SCHEMBL5166958

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.41
IKBKB O14920 6/20 0.39
CHUK O15111 1/20 0.39
HTR2B P41595 3/20 0.37
HTR2C P28335 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 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
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
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
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL5164982 0.94 IKBKB (0.40) HTR6IKBKBCHUKHTR2BHTR2C
SCHEMBL5165177 0.88 IKBKB (0.40) IKBKBCHUKHTR2BHTR2CHTR3E
SCHEMBL5165023 0.88 IKBKB (0.39) HTR6IKBKBCHUKHTR2BHTR3E
SCHEMBL5165223 0.88 HTR2B (0.39) HTR6IKBKBCHUKHTR2BHTR2C
SCHEMBL5165119 0.86 IKBKB (0.50) HTR6IKBKBCHUKHTR2BHTR3E
SCHEMBL5167012 0.85 IKBKB (0.45) IKBKBCHUKHTR2BHTR3EHTR3B
SCHEMBL5165853 0.84 IKBKB (0.40) IKBKBCHUKHTR2BHTR2CHTR3E
SCHEMBL5165902 0.84 IKBKB (0.40) HTR6IKBKBCHUKHTR2BHTR2C
SCHEMBL5165118 0.84 IKBKB (0.40) HTR6IKBKBCHUKHTR2BHTR3E
SCHEMBL5165736 0.84 HTR3E (0.43) HTR6IKBKBCHUKHTR2BHTR3E

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 9 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
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 HTR6 3137/4885IKBKB 15/4885CHUK 3/4885

“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.