SCHEMBL5165032

SCHEMBL5165032

Nc1nc(-c2cc(OC3CCCCC3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.41
ROCK2 O75116 2/20 0.41
KCNH2 Q12809 1/20 0.41
IKBKB O14920 3/20 0.38
PRKX P51817 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37
CHUK O15111 1/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
PDE7A Q13946 1/20 0.36
CHEK2 O96017 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAOB P27338 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR2B P41595 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
SCHEMBL5165881 0.99 ROCK1 (0.41) ROCK1ROCK2KCNH2IKBKBPRKX
SCHEMBL5165069 0.88 IKBKB (0.49) IKBKBCHUKCDK1CDK2CHEK2
SCHEMBL5166209 0.87 IKBKB (0.42) IKBKBCHUKCDK1CDK2CHEK2
SCHEMBL5166945 0.86 IKBKB (0.41) IKBKBCHUKCDK1CDK2CHEK2
SCHEMBL5166873 0.86 LCK (0.43) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5164076 0.86 IKBKB (0.41) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5164239 0.86 IKBKB (0.42) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5167318 0.86 IKBKB (0.40) IKBKBCHUKCDK1CDK2
SCHEMBL5167165 0.85 IKBKB (0.40) KCNH2IKBKBCHUKCDK1CDK2
SCHEMBL5164023 0.85 IKBKB (0.40) ROCK1ROCK2KCNH2IKBKBCHUK

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 ROCK1 175/4885ROCK2 299/4885KCNH2 3054/4885

“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.