SCHEMBL5164982

SCHEMBL5164982

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.40
CHUK O15111 1/20 0.40
HTR6 P50406 5/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
HTR2B P41595 2/20 0.36
HTR2C P28335 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
NPC1 O15118 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
ABL1 P00519 2/20 0.34
EGFR P00533 2/20 0.34

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
SCHEMBL5166958 0.94 HTR6 (0.41) IKBKBCHUKHTR6CDK1CDK2
SCHEMBL5167012 0.90 IKBKB (0.45) IKBKBCHUKCDK1CDK2HTR2B
SCHEMBL5165118 0.88 IKBKB (0.40) IKBKBCHUKHTR6CDK1CDK2
SCHEMBL5165853 0.88 IKBKB (0.40) IKBKBCHUKCDK1CDK2HTR2B
SCHEMBL5165902 0.88 IKBKB (0.40) IKBKBCHUKHTR6CDK1CDK2
SCHEMBL5166223 0.87 IKBKB (0.46) IKBKBCHUKCDK1CDK2CHEK1
SCHEMBL5165119 0.86 IKBKB (0.50) IKBKBCHUKHTR6HTR2BHTR3E
SCHEMBL5164224 0.86 IKBKB (0.41) IKBKBCHUKCDK1CDK2HTR2B
SCHEMBL5165242 0.86 IKBKB (0.43) IKBKBCHUKCDK1CDK2HTR2B
SCHEMBL5163764 0.86 IKBKB (0.43) IKBKBCHUKCDK1CDK2HTR2B

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 IKBKB 15/4885CHUK 3/4885HTR6 3137/4885

“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.