SCHEMBL5165059

SCHEMBL5165059

Nc1nc(-c2cc(-c3ccsc3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.41
CDK2 P24941 3/20 0.41
CCNA2 P20248 2/20 0.41
CCNA1 P78396 2/20 0.41
IKBKB O14920 3/20 0.36
CHUK O15111 1/20 0.36
CDK1 P06493 1/20 0.35
PDPK1 O15530 1/20 0.34
RPS6KB1 P23443 1/20 0.34
ERN1 O75460 1/20 0.34
ABL1 P00519 2/20 0.34
EGFR P00533 2/20 0.34
SRC P12931 2/20 0.34
ABL2 P42684 2/20 0.34
CDK2AP1 O14519 1/20 0.33
KCNH2 Q12809 1/20 0.33
BACE1 P56817 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR2B P41595 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
SCHEMBL5164962 0.88 IKBKB (0.38) CHEK1CDK2CCNA2CCNA1IKBKB
SCHEMBL5166222 0.87 IKBKB (0.42) CHEK1CDK2CCNA2CCNA1IKBKB
SCHEMBL5165078 0.86 IKBKB (0.36) CHEK1CDK2CCNA2CCNA1IKBKB
SCHEMBL5164258 0.86 IKBKB (0.41) CHEK1CDK2IKBKBCHUKCDK1
SCHEMBL5165001 0.85 CDK2 (0.40) CHEK1CDK2CCNA2CCNA1IKBKB
SCHEMBL5167358 0.85 IKBKB (0.37) CHEK1CDK2CCNA2CCNA1IKBKB
SCHEMBL5165956 0.84 CHEK1 (0.41) CHEK1CDK2CCNA2CCNA1IKBKB
SCHEMBL5167012 0.84 IKBKB (0.45) CHEK1CDK2CCNA2CCNA1IKBKB
SCHEMBL5164348 0.83 IKBKB (0.36) CHEK1CDK2IKBKBCHUKCDK1
SCHEMBL5165143 0.83 IKBKB (0.36) CHEK1CDK2CCNA2CCNA1IKBKB

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 CHEK1 1307/4885CDK2 159/4885CCNA2 1865/4885

“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.