SCHEMBL102422

SCHEMBL102422

C#CCCc1nc2c(C)cccc2o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
AGPAT2 O15120 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F2RL3 Q96RI0 4/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
P2RY6 Q15077 1/20 0.34
ELANE P08246 4/20 0.33
FBP1 P09467 1/20 0.33
CEPT1 Q9Y6K0 1/20 0.33

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
SCHEMBL101890 0.83 MAPT (0.39) AGPAT2MAPTNPC1RAB9ALOXL2
SCHEMBL101884 0.82 PIK3CD (0.39) PIK3CDPIK3CBMAPTNPC1RAB9A
SCHEMBL103151 0.82 PIK3CD (0.39) PIK3CDPIK3CBMAPTNPC1RAB9A
SCHEMBL102621 0.82 MAPT (0.38) MAPTNPC1RAB9AF2RL3LOXL2
SCHEMBL5543135 0.81 PIK3CD (0.42) PIK3CDPIK3CBPIK3CGMAPTNPC1
SCHEMBL12330315 0.78 MEN1 (0.47) PIK3CDPIK3CBPIK3CGMAPTNPC1
SCHEMBL5542360 0.77 F2RL3 (0.45) PIK3CDPIK3CBPIK3CGAGPAT2MAPT
SCHEMBL28777051 0.77 RAB9A (0.44) PIK3CDPIK3CBPIK3CGMAPTNPC1
SCHEMBL11512213 0.76 PIK3CD (0.41) PIK3CDPIK3CBPIK3CGMAPTNPC1
SCHEMBL102670 0.76 GRM5 (0.43) PIK3CDPIK3CBPIK3CGMAPTNPC1

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 PIK3CD 2001/4885PIK3CB 2024/4885PIK3CG 2130/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PIK3CD 2251/4885PIK3CB 2541/4885PIK3CG 2579/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PIK3CD 2001/4885PIK3CB 2024/4885PIK3CG 2130/4885

“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.