SCHEMBL102457

SCHEMBL102457

Cc1nc(C#CCCn2nc3ccccc3n2)sc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 2/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL102329 0.78 GRM5 (0.49) ALDH1A1MAPTGAAL3MBTL1TP53
SCHEMBL102176 0.73 GRM5 (0.49)
SCHEMBL103189 0.72 GRM5 (0.57) ALDH1A1TP53NPC1RAB9APKM
SCHEMBL102132 0.69 GRM5 (0.38) MAPTL3MBTL1KDM4E
SCHEMBL101649 0.69 GRM5 (0.41) ALDH1A1MAPTGAAL3MBTL1TP53
SCHEMBL101739 0.68 MAPT (0.38) MAPTL3MBTL1HSD17B10NPC1RAB9A
SCHEMBL104582 0.68 GRM5 (0.36) MAPTTP53KDM4E
SCHEMBL103825 0.67 GRM5 (0.44) MAPTL3MBTL1
SCHEMBL103237 0.67 GRM5 (0.38) MAPTL3MBTL1LMNA
SCHEMBL102444 0.67 GRM5 (0.38)

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 ALDH1A1 2153/4885MAPT 1113/4885GAA 2330/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 2496/4885MAPT 630/4885GAA 2249/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ALDH1A1 2153/4885MAPT 1113/4885GAA 2330/4885

“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.