Sugi Predict

Sugi Predict / Compounds / SCHEMBL367809

SCHEMBL367809

SCHEMBL367809

COc1ccc(Cn2cc3c(n2)N(CCS(C)(=O)=O)CCc2sc(Nc4ncc(F)cn4)nc2-3)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.34
▸ MAPT P10636 3/20 0.32
▸ TP53 P04637 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GRM4 Q14833 2/20 0.32
▸ NPY5R Q15761 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ AADAT Q8N5Z0 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ ALK Q9UM73 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL366145 0.90 ACHE (0.36) ACHEMAPTTP53SMN1; SMN2GRM4
SCHEMBL366988 0.89 ACHE (0.34) ACHEGRM4
SCHEMBL16242725 0.88 CACNA2D1 (0.34) ACHEGRM4
SCHEMBL15303483 0.88 SMN1; SMN2 (0.34) ACHEMAPTTP53SMN1; SMN2RXFP1
SCHEMBL368225 0.87 ACHE (0.37) ACHEMAPTTP53SMN1; SMN2GRM4
SCHEMBL16242988 0.86 FGFR3 (0.37) ACHEGRM4CYP2C9CASP1CASP7
SCHEMBL15302907 0.86 ACHE (0.37) ACHEGRM4NPY5RAADAT
SCHEMBL16242838 0.86 SMN1; SMN2 (0.35) ACHESMN1; SMN2ALDH1A1ALKGAA
SCHEMBL15302887 0.86 ACHE (0.34) ACHEGRM4
SCHEMBL16242733 0.85 SIGMAR1 (0.34) ACHEGRM4CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765091-B2 Tetrahydropyrazolo [3,4-b] azepine derivatives and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2017-09-19 — — US disclosed
EP-2592932-B1 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2016-01-20 — — EP disclosed
US-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-10-10 — — US disclosed
EP-2592932-A2 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-22 — — EP disclosed
WO-2012009001-A2 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 — — 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 (1 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-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRIK4 ACHE 839/4885MAPT 1936/4885TP53 4878/4885

“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.