SCHEMBL3868896

SCHEMBL3868896

CNc1ncc(Cl)nc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.53
NPSR1 Q6W5P4 1/20 0.44
YTHDC1 Q96MU7 1/20 0.36
CCR4 P51679 3/20 0.36
MAPK1 P28482 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
LRRK2 Q5S007 1/20 0.34
MAPKAPK2 P49137 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
SCHEMBL3577400 0.83 GRM5 (0.56) GRM5YTHDC1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL20046668 0.82 NPSR1 (0.56) GRM5NPSR1MAPK1KDM4EL3MBTL1
SCHEMBL3581736 0.81 NPSR1 (0.48) GRM5NPSR1MAPK1KDM4EL3MBTL1
SCHEMBL23703085 0.80 NPSR1 (0.44) GRM5NPSR1CCR4MAPK1KDM4E
SCHEMBL261816 0.79 GRM5 (0.52) GRM5NPSR1KDM4EL3MBTL1ALDH1A1
SCHEMBL29844710 0.79 GRM5 (0.52) GRM5NPSR1KDM4EL3MBTL1ALDH1A1
SCHEMBL5274364 0.79 NPSR1 (0.47) GRM5NPSR1MAPK1KDM4EL3MBTL1
SCHEMBL361702 0.79 NPSR1 (0.47) GRM5NPSR1MAPK1MAPTKDM4E
SCHEMBL29277697 0.79 ATR (0.49) GRM5NPSR1MAPKAPK2
SCHEMBL23214139 0.78 NPSR1 (0.45) GRM5NPSR1MAPK1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715867-A4 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2009-04-15 EP disclosed
US-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-06-28 US disclosed
CN-1933838-A Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2007-03-21 CN disclosed
EP-1715867-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-11-02 EP disclosed
WO-2005079802-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-09-01 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 (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-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GABRA5 GRM5 1/4885NPSR1 111/4885YTHDC1 3424/4885

“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.