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Sugi Predict / Compounds / SCHEMBL371027

SCHEMBL371027

SCHEMBL371027

CCOC(=O)c1cn(Cc2ccc(OC)cc2)nc1NCc1ccn(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 2/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KLKB1 P03952 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
SCHEMBL1052418 0.77 PDE4D (0.49) GAAMAPTTP53UCHL1ALDH1A1
SCHEMBL371028 0.77 AGTR1 (0.41) GAAMAPTTP53UCHL1AGTR1
SCHEMBL8693518 0.76 EGFR (0.54) GAAMAPTTP53AGTR1ALDH1A1
SCHEMBL369698 0.76 AGTR1 (0.37) GAAMAPTTP53UCHL1AGTR1
SCHEMBL25191628 0.76 MAPT (0.47) GAAMAPTTP53UCHL1ALDH1A1
SCHEMBL2507978 0.76 MAPT (0.47) GAAMAPTTP53UCHL1ALDH1A1
SCHEMBL369424 0.76 UCHL1 (0.47) GAAMAPTTP53UCHL1ALDH1A1
SCHEMBL3356514 0.75 MAPT (0.46) GAAMAPTTP53UCHL1AGTR1
SCHEMBL369164 0.75 ALDH1A1 (0.48) GAAMAPTUCHL1ALDH1A1KMT2A
SCHEMBL2508034 0.75 MAPT (0.46) GAAMAPTTP53UCHL1ALDH1A1

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 GAA 3198/4885MAPT 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.