SCHEMBL103534

SCHEMBL103534

C#CCCc1nc2ccc(Cl)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB5 P28074 1/20 0.49
PIK3CG P48736 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
S1PR3 Q99500 1/20 0.40
TP53 P04637 1/20 0.39
XDH P47989 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SNCA P37840 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
FBP1 P09467 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL102941 0.88 MEN1 (0.62) PSMB8MEN1KMT2AMAPTKDM4E
SCHEMBL101887 0.82 MAPT (0.47) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL104801 0.82 KDM4E (0.73) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL7899514 0.80 LOXL2 (0.60) SOS1PSMB8PSMB5PIK3CGMEN1
SCHEMBL100737 0.78 MAPT (0.70) PSMB8MEN1KMT2AMAPTKDM4E
SCHEMBL486127 0.77 PIK3CG (0.58) SOS1PSMB8PSMB5PIK3CGMEN1
SCHEMBL21915132 0.76 MAPT (0.51) SOS1PSMB8PSMB5PIK3CGMEN1
SCHEMBL17221435 0.76 PIK3CG (0.56) SOS1PSMB8PSMB5PIK3CGMEN1
SCHEMBL11934535 0.76 PIK3CG (0.56) SOS1PSMB8PSMB5PIK3CGMEN1
SCHEMBL16006862 0.76 PIK3CG (0.56) SOS1PSMB8PSMB5PIK3CGMEN1

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 7 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

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 SOS1 4005/4885PSMB8 4230/4885PSMB5 926/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 SOS1 3255/4885PSMB8 4600/4885PSMB5 1361/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 SOS1 4005/4885PSMB8 4230/4885PSMB5 926/4885

“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.