SCHEMBL103179

SCHEMBL103179

C#CCCc1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
LMNA P02545 3/20 0.64
TLR7 Q9NYK1 1/20 0.59
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
POLB P06746 1/20 0.54
TNF P01375 1/20 0.54
AGTR1 P30556 2/20 0.53
AGTR2 P50052 2/20 0.53
PDE6D O43924 1/20 0.52
ALDH2 P05091 1/20 0.52
ALDH3A1 P30838 1/20 0.52

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
SCHEMBL103837 0.89 LMNA (0.68) MEN1KMT2ALMNATLR7MAPT
SCHEMBL229324 0.86 MEN1 (0.78) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL8396607 0.82 PPARG (0.76) AGTR1AGTR2
SCHEMBL102269 0.81 MEN1 (0.58) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL228889 0.80 LMNA (0.90) MEN1KMT2ALMNAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL30281636 0.79 MEN1 (0.68) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL15569105 0.79 MEN1 (0.72) MEN1KMT2ALMNAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29205424 0.79 MEN1 (0.68) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL103530 0.79 MEN1 (1.00) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL15685952 0.79 LMNA (1.00) MEN1KMT2ALMNAALDH1A1CYP1A2

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
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
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 (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 MEN1 4118/4885KMT2A 2181/4885LMNA 4407/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MEN1 3565/4885KMT2A 1833/4885LMNA 4715/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MEN1 4118/4885KMT2A 2181/4885LMNA 4407/4885

“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.