SCHEMBL626150

SCHEMBL626150

Cn1c(=O)n(CC2CCOCC2)c2ccc(-c3cc(Oc4ccnc(C#N)c4)ccc3C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PRKDC P78527 2/20 0.41
GRM2 Q14416 2/20 0.40
RET P07949 3/20 0.37
PFKFB2 O60825 1/20 0.35
PFKFB1 P16118 1/20 0.35
PFKFB3 Q16875 1/20 0.35
TBK1 Q9UHD2 7/20 0.35
P2RX3 P56373 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
XDH P47989 2/20 0.35
MTOR P42345 1/20 0.34

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
SCHEMBL627819 0.94 GRM2 (0.44) PIK3CAGRM2P2RX3XDH
SCHEMBL14992645 0.93 GRM2 (0.44) GRM2P2RX3XDH
SCHEMBL627802 0.93 GRM2 (0.46) GRM2P2RX3XDH
SCHEMBL10146007 0.85 GRM2 (0.43) PIK3CAGRM2XDH
SCHEMBL627295 0.82 GRM2 (0.43) GRM2P2RX3
SCHEMBL627517 0.82 GRM2 (0.47) GRM2P2RX3
SCHEMBL14992922 0.82 GRM2 (0.40) GRM2P2RX3XDH
SCHEMBL14992370 0.82 PARG (0.40) GRM2P2RX3
SCHEMBL10145839 0.81 PIK3CA (0.44) PIK3CAPRKDCGRM2MTOR
SCHEMBL14992410 0.80 PARG (0.40) PIK3CAPRKDCGRM2

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 PIK3CA 1854/4885PRKDC 3933/4885GRM2 1/4885

“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.