Sugi Predict

Sugi Predict / Compounds / SCHEMBL101746

SCHEMBL101746

SCHEMBL101746

FCc1cccc(C#CCCn2cc(-c3ccc(F)cc3)nn2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.40
▸ MAPK14 Q16539 8/20 0.37
▸ CSNK1D P48730 3/20 0.37
▸ SRC P12931 1/20 0.37
▸ ROCK2 O75116 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRM5 P41594 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
SCHEMBL104217 0.81 CREBBP (0.36) MAPK14GRM5
SCHEMBL103257 0.81 GRM5 (0.47) PTGS2MAPK14CSNK1DSRCROCK2
SCHEMBL101743 0.79 GRM5 (0.32) MAPK14GRM5
SCHEMBL101323 0.75 GRM5 (0.34) GRM5
SCHEMBL4204954 0.73 GRM5 (0.31) MAPK14GRM5
SCHEMBL103084 0.72 GRM5 (0.33) GRM5
SCHEMBL103076 0.72 GRM5 (0.34) GRM5
SCHEMBL102272 0.72 PTGS2 (0.51) PTGS2MAPK14CSNK1DSRCROCK2
SCHEMBL102003 0.71 GRM5 (0.36) GRM5
SCHEMBL101655 0.71 GRM5 (0.32) GRM5

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 PTGS2 2325/4885MAPK14 1564/4885CSNK1D 1603/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PTGS2 2124/4885MAPK14 2068/4885CSNK1D 2100/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PTGS2 2325/4885MAPK14 1564/4885CSNK1D 1603/4885

“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.