SCHEMBL5183252

SCHEMBL5183252

COc1ccc(-c2cnc(OC)cc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
MAPT P10636 2/20 0.46
PTGS2 P35354 2/20 0.45
FYN P06241 1/20 0.44
SYK P43405 3/20 0.44
DYRK1A Q13627 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
PTK2B Q14289 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43

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
SCHEMBL16475197 0.85 PDGFRB (0.48) KMT2APDGFRBPDGFRAFYN
SCHEMBL5183305 0.83 DGAT1 (0.49) KMT2AMAPTPTGS2DYRK1ATP53
SCHEMBL2036185 0.81 ORAI1 (0.40) PDGFRBPDGFRAFYN
SCHEMBL29788124 0.80 PDGFRB (0.52) PDGFRBPDGFRATSHRMAPK1HTT
SCHEMBL2035417 0.80 PDGFRB (0.52) PDGFRBPDGFRATSHRMAPK1HTT
SCHEMBL5184605 0.78 CYP11B1 (0.50) KMT2AMAPTPTGS2SYKTP53
SCHEMBL5184254 0.78 KMT2A (0.43) KMT2AMAPTPTGS2TP53TSHR
SCHEMBL17625718 0.77 BACE1 (0.63) KMT2APTGS2SYKTP53MAPK1
SCHEMBL21670077 0.77 CYP2A6 (0.56) KMT2APDGFRBPDGFRAFYNSYK
SCHEMBL5183575 0.76 PTGS2 (0.45) KMT2AMAPTPTGS2TP53TSHR

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 9 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 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
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 CN disclosed
US-20100048591-A1 CHEMICAL COMPOUNDS AND PROCESSES BIONOMICS LIMITED (AU) 2010-02-25 US disclosed
CN-101061098-A Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN 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
EP-1799646-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-27 EP disclosed
WO-2006030032-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 WO 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 (3 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-20100048591-A1 CHEMICAL COMPOUNDS AND PROCESSES LTC4S, HNMT, SQLE KMT2A 2583/4885PDGFRB 3072/4885PDGFRA 2898/4885
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 KMT2A 1937/4885PDGFRB 1077/4885PDGFRA 1413/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 KMT2A 1513/4885PDGFRB 903/4885PDGFRA 1271/4885

“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.