SCHEMBL5165069

SCHEMBL5165069

COc1ccc(O)c(-c2cn(C3CCCNC3)c(=O)c(N)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.49
HTR2C P28335 5/20 0.41
HTR2B P41595 5/20 0.41
HTR2A P28223 2/20 0.41
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
ABL2 P42684 1/20 0.40
HTR6 P50406 1/20 0.40
CHUK O15111 1/20 0.38
NPC1 O15118 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
GUSB P08236 1/20 0.35
FGFR4 P22455 1/20 0.35
CHEK2 O96017 2/20 0.35
CHEK1 O14757 1/20 0.35
FGFR1 P11362 1/20 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
SCHEMBL5164239 0.90 IKBKB (0.42) IKBKBHTR2BSRCABL1EGFR
SCHEMBL5167318 0.90 IKBKB (0.40) IKBKBSRCABL1EGFRABL2
SCHEMBL5164076 0.90 IKBKB (0.41) IKBKBHTR2BSRCCHUKCDK1
SCHEMBL5165881 0.89 ROCK1 (0.41) IKBKBHTR2BCHUKCDK1CDK2
SCHEMBL5166621 0.88 IKBKB (0.41) IKBKBHTR2CHTR2BHTR2ASRC
SCHEMBL5165032 0.88 ROCK1 (0.41) IKBKBHTR2BCHUKCDK1CDK2
SCHEMBL5166873 0.88 LCK (0.43) IKBKBHTR2BSRCEGFRHTR6
SCHEMBL5165853 0.87 IKBKB (0.40) IKBKBHTR2CHTR2BHTR2ASRC
SCHEMBL5167165 0.87 IKBKB (0.40) IKBKBCHUKCDK1CDK2CHEK2
SCHEMBL5164023 0.87 IKBKB (0.40) IKBKBHTR2BSRCABL1EGFR

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 15/4885HTR2C 3112/4885HTR2B 3001/4885

“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.