SCHEMBL102329

SCHEMBL102329

Cc1csc(C#CCCn2nc3ccccc3n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
KMT2A Q03164 7/20 0.39
MEN1 O00255 5/20 0.39
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 4/20 0.34
RAB9A P51151 4/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 4/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 3/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL102457 0.78 ALDH1A1 (0.34) HSD17B10ALDH1A1MAPK1KDM4EHPGD
SCHEMBL102176 0.78 GRM5 (0.49) GRM5
SCHEMBL103189 0.75 GRM5 (0.57) GRM5KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13026586 0.73 GRM5 (0.50) GRM5KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL13026588 0.72 GRM5 (0.58) GRM5KMT2AMEN1RAB9AGAA
SCHEMBL101649 0.72 GRM5 (0.41) GRM5KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL13026583 0.70 GRM5 (0.47) GRM5SMN1; SMN2
SCHEMBL102132 0.69 GRM5 (0.38) GRM5KDM4EMAPTL3MBTL1
SCHEMBL13026589 0.69 GRM5 (0.53) GRM5KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL101739 0.68 MAPT (0.38) KMT2AMEN1HSD17B10MAPK1KDM4E

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 GRM5 1/4885KMT2A 2181/4885MEN1 4118/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885KMT2A 1833/4885MEN1 3565/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885KMT2A 2181/4885MEN1 4118/4885

“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.