SCHEMBL5440306

SCHEMBL5440306

O=c1ccc(-c2ccc3c(c2)CCO3)cn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
GSK3B P49841 4/20 0.47
BRD4 O60885 1/20 0.46
FABP4 P15090 2/20 0.43
FAAH O00519 1/20 0.43
DYRK1A Q13627 1/20 0.42
FFAR1 O14842 1/20 0.42
ERN1 O75460 1/20 0.41
CYP2D6 P10635 1/20 0.41
CREBBP Q92793 1/20 0.41
PKM P14618 1/20 0.41
DNM1L O00429 1/20 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
SCHEMBL5433847 0.89 GSK3B (0.50) MKNK1MKNK2GSK3BDYRK1AFFAR1
SCHEMBL5445096 0.84 ERN1 (0.45) MKNK1MKNK2GSK3BBRD4FAAH
SCHEMBL23334345 0.78 PDE4A (0.58) GSK3B
SCHEMBL5445259 0.75 MKNK1 (0.58) MKNK1MKNK2BRD4FAAHCREBBP
SCHEMBL15749928 0.73 DYRK1A (0.60) GSK3BFABP4DYRK1AFFAR1ERN1
SCHEMBL5440942 0.73 MKNK1 (0.57) MKNK1MKNK2BRD4CYP2D6CREBBP
SCHEMBL5440318 0.73 MKNK1 (0.64) MKNK1MKNK2BRD4CREBBP
SCHEMBL2502963 0.73 PDE5A (0.40) GSK3BBRD4
SCHEMBL5437260 0.72 MKNK1 (0.60) MKNK1MKNK2BRD4CREBBP
SCHEMBL5443019 0.72 MKNK1 (0.56) MKNK1MKNK2BRD4CREBBP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 EP 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 claimed
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 EP disclosed
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 MKNK1 2293/4885MKNK2 1366/4885GSK3B 1323/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MKNK1 1868/4885MKNK2 1100/4885GSK3B 1493/4885

“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.