SCHEMBL5164875

SCHEMBL5164875

Cc1cccc(-c2cn(C3CCCNC3)c(=O)c(N)n2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.52
HTR2B P41595 5/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HTR2C P28335 4/20 0.38
HTR2A P28223 3/20 0.38
CHUK O15111 1/20 0.38
PARP1 P09874 1/20 0.37
CAMK2D Q13557 1/20 0.37
TLR8 Q9NR97 1/20 0.36
HTR6 P50406 3/20 0.36
ABL1 P00519 2/20 0.36
EGFR P00533 2/20 0.36
SRC P12931 2/20 0.36
ABL2 P42684 2/20 0.36
BMPR1A P36894 1/20 0.33

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
SCHEMBL5167485 0.88 HTR3E (0.43) IKBKBHTR2BHTR3EHTR3BHTR3A
SCHEMBL5165736 0.88 HTR3E (0.43) IKBKBHTR2BHTR3EHTR3BHTR3A
SCHEMBL5167764 0.88 HTR3E (0.43) IKBKBHTR2BHTR3EHTR3BHTR3A
SCHEMBL14540204 0.88 HTR3E (0.43) IKBKBHTR2BHTR3EHTR3BHTR3A
SCHEMBL5163731 0.87 IKBKB (0.52) IKBKBHTR2BHTR3EHTR3BHTR3A
SCHEMBL5165119 0.86 IKBKB (0.50) IKBKBHTR2BHTR3EHTR3BHTR3A
SCHEMBL5165177 0.84 IKBKB (0.40) IKBKBHTR2BHTR3EHTR3BHTR3A
SCHEMBL5165853 0.82 IKBKB (0.40) IKBKBHTR2BHTR3EHTR3BHTR3A
SCHEMBL14414772 0.81 IKBKB (0.46) IKBKBHTR2BHTR2CHTR2APARP1
SCHEMBL5164179 0.80 IKBKB (0.41) IKBKBHTR2BHTR3EHTR3BHTR3A

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 claimed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP 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 IKBKB 15/4885HTR2B 3001/4885HTR3E 3425/4885

“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.