SCHEMBL5164076

SCHEMBL5164076

CC(C)Oc1ccc(O)c(-c2cn(C3CCCNC3)c(=O)c(N)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.41
CHUK O15111 1/20 0.37
IRAK4 Q9NWZ3 8/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
SRC P12931 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
BTK Q06187 2/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL5165069 0.90 IKBKB (0.49) IKBKBCHUKCDK1CDK2SRC
SCHEMBL5167318 0.88 IKBKB (0.40) IKBKBCHUKCDK1CDK2SRC
SCHEMBL5164239 0.88 IKBKB (0.42) IKBKBCHUKCDK1CDK2SRC
SCHEMBL5165881 0.86 ROCK1 (0.41) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5166621 0.86 IKBKB (0.41) IKBKBCHUKCDK1CDK2SRC
SCHEMBL5166873 0.86 LCK (0.43) IKBKBCHUKCDK1CDK2SRC
SCHEMBL5165032 0.86 ROCK1 (0.41) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5165853 0.85 IKBKB (0.40) IKBKBCHUKCDK1CDK2SRC
SCHEMBL5167165 0.85 IKBKB (0.40) IKBKBCHUKCDK1CDK2HTR3A
SCHEMBL5164023 0.85 IKBKB (0.40) IKBKBCHUKCDK1CDK2SRC

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 6 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

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 3/4885IRAK4 5/4885

“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.