Sugi Predict

Sugi Predict / Compounds / SCHEMBL370155

SCHEMBL370155

SCHEMBL370155

C=CCN(Cc1ccccc1)c1nn(Cc2ccc(OC)cc2)cc1C(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ CACNA1G O43497 2/20 0.42
▸ CACNA1H O95180 2/20 0.42
▸ CACNA1I Q9P0X4 2/20 0.42
▸ BCL2A1 Q16548 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ADORA2B P29275 1/20 0.38

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
SCHEMBL369161 0.89 KMT2A (0.41) KMT2ACACNA1GCACNA1HCACNA1IBCL2A1
SCHEMBL370519 0.84 CACNA1G (0.41) KMT2ACACNA1GCACNA1HCACNA1IBCL2A1
SCHEMBL15307192 0.81 AGTR1 (0.40) KMT2AMAPTSMN1; SMN2MEN1NPC1
SCHEMBL369787 0.80 KMT2A (0.39) KMT2ACACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL15130226 0.79 NPBWR1 (0.43) BCL2A1MAPTBLMPMP22SMN1; SMN2
SCHEMBL369698 0.75 AGTR1 (0.37) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL370149 0.75 CACNA1G (0.34) KMT2ACACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL369326 0.73 CACNA1G (0.40) KMT2ACACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL370874 0.73 FLT3 (0.42) KMT2ACACNA1GCACNA1HCACNA1IBCL2A1
SCHEMBL371004 0.73 KLKB1 (0.35) KMT2ACACNA1GCACNA1HCACNA1ISMN1; SMN2

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 KMT2A 1124/4885CACNA1G 404/4885CACNA1H 447/4885

“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.