SCHEMBL5166223

SCHEMBL5166223

Nc1nc(-c2cc(C3CCCNC3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.46
CHUK O15111 1/20 0.46
CDK2 P24941 3/20 0.44
CDK1 P06493 1/20 0.44
CHEK1 O14757 2/20 0.37
CCNA2 P20248 2/20 0.37
CCNA1 P78396 2/20 0.37
TNKS O95271 1/20 0.36
CHRM2 P08172 1/20 0.36
PARP1 P09874 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
DYRK1A Q13627 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL5165242 0.97 IKBKB (0.43) IKBKBCHUKCDK2CDK1CHEK1
SCHEMBL5163764 0.97 IKBKB (0.43) IKBKBCHUKCDK2CDK1CHEK1
SCHEMBL5167597 0.96 IKBKB (0.42) IKBKBCHUKCDK2CDK1CHEK1
SCHEMBL5168195 0.96 IKBKB (0.42) IKBKBCHUKCDK2CDK1CHEK1
SCHEMBL5164224 0.95 IKBKB (0.41) IKBKBCHUKCDK2CDK1
SCHEMBL5166978 0.94 IKBKB (0.40) IKBKBCHUKCDK2CDK1
SCHEMBL5166312 0.90 IKBKB (0.38) IKBKBCHUKCDK2CDK1CHEK1
SCHEMBL5164142 0.90 IKBKB (0.38) IKBKBCHUKCDK2CDK1CHEK1
SCHEMBL5166770 0.90 IKBKB (0.38) IKBKBCHUKCDK2CDK1
SCHEMBL5164214 0.90 IKBKB (0.38) IKBKBCHUKCDK2CDK1PARP1

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 3/4885CDK2 159/4885

“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.