SCHEMBL627459

SCHEMBL627459

Cn1c(=O)n(CC2CC2)c2ccc(-c3cncc(C#N)c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 4/20 0.44
BACE1 P56817 2/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CREBBP Q92793 1/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
KDM1A O60341 1/20 0.40
GRM2 Q14416 1/20 0.39
GRIA2 P42262 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CRHR1 P34998 1/20 0.38
CRHR2 Q13324 1/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL10145920 0.84 PARG (0.46) PARGGRIN1GRIN2BGRM2CRHR1
SCHEMBL14992462 0.83 GRM2 (0.60) PARGBACE1CYP11B1CYP11B2GRM2
SCHEMBL14992395 0.82 PARG (0.47) PARGBACE1GSK3BDYRK1ABACE2
SCHEMBL627472 0.81 GRM2 (0.49) BACE1GSK3BDYRK1ABACE2CYP11B1
SCHEMBL14992315 0.79 GRM2 (0.42) BACE1GSK3BDYRK1ABACE2CYP11B1
SCHEMBL626976 0.78 PARG (0.41) PARGGRM2PRMT5WDR77
SCHEMBL626276 0.77 PARG (0.41) PARGCREBBPKDM1AGRM2
SCHEMBL10146576 0.77 GRM2 (0.64) PARGGRIN1GRIN2BGRM2CRHR1
SCHEMBL627523 0.76 PARG (0.45) PARGCYP11B2KDM1AGRM2CRHR1
SCHEMBL14992698 0.76 PARG (0.45) PARGGRM2CRHR1CRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603079-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2018-09-19 EP claimed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US claimed
EP-2603079-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-06-19 EP claimed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US claimed
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO claimed
EP-2603079-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2018-09-19 EP disclosed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US disclosed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US disclosed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 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 (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-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRIA2, GRM1 PARG 4723/4885BACE1 3135/4885GSK3B 2810/4885

“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.