SCHEMBL627472

SCHEMBL627472

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.49
CYP11B2 P19099 3/20 0.42
CYP11B1 P15538 2/20 0.42
GRIN1 Q05586 7/20 0.40
GRIN2B Q13224 7/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
BACE1 P56817 3/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL14992462 0.91 GRM2 (0.60) GRM2CYP11B2CYP11B1PRMT5WDR77
SCHEMBL14992315 0.88 GRM2 (0.42) GRM2CYP11B2CYP11B1GRIN1GRIN2B
SCHEMBL10146644 0.84 GRM2 (0.52) GRM2CYP11B2GRIN1GRIN2B
SCHEMBL627459 0.81 PARG (0.44) GRM2CYP11B2CYP11B1GRIN1GRIN2B
SCHEMBL14992455 0.80 GRM2 (0.46) GRM2GRIN1GRIN2B
SCHEMBL14992395 0.80 PARG (0.47) GRM2CYP11B2CYP11B1PRMT5WDR77
SCHEMBL14992497 0.77 GRM2 (0.72) GRM2
SCHEMBL10145946 0.77 GRM2 (0.61) GRM2GRIN1GRIN2B
SCHEMBL14992661 0.77 GRM2 (0.71) GRM2
SCHEMBL14991844 0.75 GRM2 (0.65) GRM2GRIN1GRIN2B

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 GRM2 1/4885CYP11B2 2847/4885CYP11B1 3861/4885

“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.