SCHEMBL5439440

SCHEMBL5439440

O=c1ccc(-c2ccccc2)cn1Cc1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.58
▸ MKNK1 Q9BUB5 5/20 0.50
▸ MKNK2 Q9HBH9 5/20 0.50
▸ MAPT P10636 1/20 0.49
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40

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
SCHEMBL5448954 0.93 PTGDR2 (0.56) PTGDR2MKNK1MKNK2MAPTKDM4E
SCHEMBL5433177 0.88 MAPT (0.55) PTGDR2MKNK1MKNK2MAPTTP53
SCHEMBL5442659 0.84 PTGDR2 (0.52) PTGDR2MKNK1MKNK2MAPTKDM4E
SCHEMBL5433919 0.81 PTGDR2 (0.48) PTGDR2MKNK1MKNK2MAPTKDM4E
SCHEMBL5435932 0.80 PTGDR2 (0.48) PTGDR2MKNK1MKNK2MAPTSMN1; SMN2
SCHEMBL5435554 0.78 PTGDR2 (0.54) PTGDR2MKNK1MKNK2
SCHEMBL5184935 0.75 MAPT (0.52) PTGDR2MKNK1MKNK2MAPTTP53
SCHEMBL8264087 0.75 MAPT (0.52) PTGDR2MKNK1MKNK2MAPTTP53
SCHEMBL1757475 0.75 PTGDR2 (1.00) PTGDR2
SCHEMBL15815630 0.74 BRD4 (0.70) PTGDR2

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-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US claimed
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 — — US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 — — US 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 (2 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-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 PTGDR2 85/4885MKNK1 2293/4885MKNK2 1366/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 PTGDR2 78/4885MKNK1 1868/4885MKNK2 1100/4885

“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.

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