SCHEMBL102394

SCHEMBL102394

CC(=O)Nc1cccc(C#CCCn2nc3ccccc3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
MAPK8 P45983 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
POLB P06746 2/20 0.38
GRM5 P41594 3/20 0.38
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 2/20 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
SCHEMBL104582 0.84 GRM5 (0.36) KDM4EGRM5MAPT
SCHEMBL102132 0.84 GRM5 (0.38) KDM4EGRM5L3MBTL1MAPT
SCHEMBL103256 0.82 GRM5 (0.36) KDM4EPOLBGRM5HSD17B10ALDH1A1
SCHEMBL103844 0.81 SCN9A (0.35) KDM4ELMNAGRM5HSD17B10ALDH1A1
SCHEMBL101817 0.81 GRM5 (0.33) GRM5
SCHEMBL103189 0.77 GRM5 (0.57) KDM4ELMNAGRM5ALDH1A1CYP1A2
SCHEMBL103237 0.75 GRM5 (0.38) LMNAGRM5CYP1A2L3MBTL1MAPT
SCHEMBL102444 0.75 GRM5 (0.38) POLBGRM5
SCHEMBL103193 0.75 SMN1; SMN2 (0.37) LMNAPOLBGRM5ALDH1A1TSHR
SCHEMBL103144 0.73 GRM5 (0.37) GRM5L3MBTL1MAPTSMN1; SMN2

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-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP claimed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US claimed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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 (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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KDM4E 1750/4885LMNA 4407/4885MAPK8 2603/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KDM4E 1986/4885LMNA 4715/4885MAPK8 2958/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KDM4E 1750/4885LMNA 4407/4885MAPK8 2603/4885

“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.