Sugi Predict

Sugi Predict / Compounds / SCHEMBL369161

SCHEMBL369161

SCHEMBL369161

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CACNA1G O43497 2/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ CACNA1I Q9P0X4 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ADORA3 P0DMS8 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
SCHEMBL370155 0.89 KMT2A (0.44) KMT2AMAPTBLMPMP22SMN1; SMN2
SCHEMBL370149 0.86 CACNA1G (0.34) KMT2ASMN1; SMN2TSHRCACNA1GCACNA1H
SCHEMBL369326 0.86 CACNA1G (0.40) KMT2ASMN1; SMN2TSHRCACNA1GCACNA1H
SCHEMBL371004 0.84 KLKB1 (0.35) KMT2ASMN1; SMN2TSHRCACNA1GCACNA1H
SCHEMBL371003 0.84 KLKB1 (0.36) KMT2AMAPTSMN1; SMN2TSHRCACNA1G
SCHEMBL371167 0.82 HSP90AA1 (0.31) CACNA1GCACNA1HCACNA1I
SCHEMBL15130277 0.80 MAPK1 (0.41) MAPTBLMPMP22SMN1; SMN2TSHR
SCHEMBL369366 0.78 CACNA1G (0.40) KMT2ASMN1; SMN2CACNA1GCACNA1HCACNA1I
SCHEMBL369221 0.77 CACNA1G (0.41) KMT2ASMN1; SMN2CACNA1GCACNA1HCACNA1I
SCHEMBL369787 0.77 KMT2A (0.39) KMT2ASMN1; SMN2TSHRCACNA1GCACNA1H

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 1124/4885MAPT 1936/4885BLM 4635/4885

“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.