SCHEMBL5166209

SCHEMBL5166209

Nc1nc(-c2cc(OCC3CCCCC3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.42
MAP2K1 Q02750 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
GRK2 P25098 1/20 0.37
CHUK O15111 1/20 0.37
PARP10 Q53GL7 4/20 0.37
PARP15 Q460N3 3/20 0.37
CHEK2 O96017 1/20 0.36
BMPR1A P36894 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
MAP4K3 Q8IVH8 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 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
SCHEMBL5166945 0.99 IKBKB (0.41) IKBKBMAP2K1MAOAMAOBGRK2
SCHEMBL5167165 0.97 IKBKB (0.40) IKBKBMAP2K1MAOAMAOBGRK2
SCHEMBL14540230 0.91 MAP2K1 (0.41) IKBKBMAP2K1MAOAMAOBGRK2
SCHEMBL5167318 0.89 IKBKB (0.40) IKBKBCHUKCDK1CDK2
SCHEMBL5166621 0.87 IKBKB (0.41) IKBKBCHUKCHEK2CDK1CDK2
SCHEMBL5165032 0.87 ROCK1 (0.41) IKBKBMAOBCHUKCHEK2BMPR1A
SCHEMBL5165881 0.86 ROCK1 (0.41) IKBKBCHUKCHEK2BMPR1AACVRL1
SCHEMBL5165069 0.86 IKBKB (0.49) IKBKBCHUKCHEK2CDK1CDK2
SCHEMBL5166627 0.86 IKBKB (0.42) IKBKBMAOAMAOBCHUKCHEK2
SCHEMBL5166841 0.85 IKBKB (0.37) IKBKBCHUKBMPR1AACVRL1ACVR1

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 15/4885MAP2K1 406/4885MAOA 3887/4885

“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.