Sugi Predict

Sugi Predict / Compounds / SCHEMBL368018

SCHEMBL368018

SCHEMBL368018

COc1ccc(Cn2cc3c(n2)N(Cc2ccccn2)CCc2sc(Nc4ncc(F)cn4)nc2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 5/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GLS O94925 3/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ FPR1 P21462 2/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ ACHE P22303 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ SCD O00767 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ROCK2 O75116 1/20 0.32

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 0.88 ACHE (0.36) GRM4SMN1; SMN2KCNH2ACHE
SCHEMBL366988 0.86 ACHE (0.34) GRM4ACHE
SCHEMBL15302907 0.86 ACHE (0.37) GRM4ACHE
SCHEMBL368225 0.86 ACHE (0.37) GRM4SMN1; SMN2ACHECYP2C9
SCHEMBL16242725 0.85 CACNA2D1 (0.34) GRM4ACHE
SCHEMBL16243058 0.84 ACHE (0.32) GRM4ACHE
SCHEMBL367809 0.84 ACHE (0.34) GRM4SMN1; SMN2ACHECYP2C9
SCHEMBL16242988 0.84 FGFR3 (0.37) GRM4KCNH2ACHECYP1A2CYP3A4
SCHEMBL15302887 0.83 ACHE (0.34) GRM4ACHE
SCHEMBL16242838 0.83 SMN1; SMN2 (0.35) SMN1; SMN2ACHE

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 GRM4 1/4885SMN1; SMN2 1922/4885GLS 893/4885

“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.