SCHEMBL5477257

SCHEMBL5477257

COc1ccc(CNc2nc(-c3cc(F)ccc3O)cn(C3CCCNC3)c2=O)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.41
HTR6 P50406 1/20 0.39
CHEK1 O14757 4/20 0.38
CHEK2 O96017 4/20 0.38
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
TSHR P16473 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2D6 P10635 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK9 P50750 1/20 0.37
POLB P06746 1/20 0.36
ACP1 P24666 1/20 0.35
GHSR Q92847 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 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
SCHEMBL5168067 0.83 TLR9 (0.42) PDE9ACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL5166679 0.80 ALDH1A1 (0.40) CYP1A2CYP3A4TSHRCYP2C19CYP2D6
SCHEMBL5165069 0.76 IKBKB (0.49) HTR6CHEK1CHEK2IKBKB
SCHEMBL14414801 0.73 ALDH1A1 (0.40) CYP1A2CYP3A4TSHRCYP2C19CYP2D6
SCHEMBL5166958 0.69 HTR6 (0.41) HTR6IKBKB
SCHEMBL5167318 0.69 IKBKB (0.40) ACP1IKBKB
SCHEMBL5166621 0.68 IKBKB (0.41) CHEK1CHEK2HSD17B10IKBKB
SCHEMBL5164239 0.68 IKBKB (0.42) HTR6IKBKB
SCHEMBL5164076 0.68 IKBKB (0.41) CDK9IKBKB
SCHEMBL5167165 0.67 IKBKB (0.40) CHEK2CYP2D6IKBKB

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 4 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 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 PDE9A 3690/4885HTR6 3137/4885CHEK1 1307/4885

“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.