SCHEMBL5166873

SCHEMBL5166873

Nc1nc(-c2cc(Oc3ccccc3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.43
SRC P12931 3/20 0.43
IKBKB O14920 2/20 0.41
CHUK O15111 1/20 0.41
GHSR Q92847 1/20 0.38
BTK Q06187 9/20 0.37
TEK Q02763 3/20 0.37
KDR P35968 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RGS12 O14924 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
LYN P07948 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
SCHEMBL5164023 0.94 IKBKB (0.40) LCKSRCIKBKBCHUKGHSR
SCHEMBL5165185 0.88 HTR6 (0.39) LCKSRCIKBKBCHUKGHSR
SCHEMBL5165069 0.88 IKBKB (0.49) SRCIKBKBCHUKNPC1EGFR
SCHEMBL5166627 0.88 IKBKB (0.42) LCKIKBKBCHUKKDRLYN
SCHEMBL5165881 0.86 ROCK1 (0.41) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5166222 0.86 IKBKB (0.42) LCKSRCIKBKBCHUKEGFR
SCHEMBL5164239 0.86 IKBKB (0.42) LCKSRCIKBKBCHUKEGFR
SCHEMBL5167318 0.86 IKBKB (0.40) SRCIKBKBCHUKEGFRCDK1
SCHEMBL5165032 0.86 ROCK1 (0.41) IKBKBCHUKCDK1CDK2HTR3E
SCHEMBL5164076 0.86 IKBKB (0.41) SRCIKBKBCHUKBTKCDK1

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 LCK 234/4885SRC 286/4885IKBKB 15/4885

“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.