Sugi Predict

Sugi Predict / Compounds / SCHEMBL369155

SCHEMBL369155

SCHEMBL369155

C=CCNc1nn(Cc2ccc(OC)cc2)cc1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SNCA P37840 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CACNA1G O43497 2/20 0.40
▸ CACNA1H O95180 2/20 0.40
▸ CACNA1I Q9P0X4 2/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL370630 0.91 PKM (0.41) L3MBTL1SNCAPKMNPC1RAB9A
SCHEMBL15182579 0.80 KMT2A (0.43) L3MBTL1SNCANPC1RAB9AKMT2A
SCHEMBL369027 0.77 KLKB1 (0.51) KMT2AKLKB1
SCHEMBL370448 0.77 L3MBTL1 (0.48) L3MBTL1SNCANPC1RAB9AKMT2A
SCHEMBL15182553 0.76 KMT2A (0.46) L3MBTL1SNCANPC1RAB9AKMT2A
SCHEMBL15307200 0.74 HPGD (0.48) L3MBTL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL368884 0.73 BLM (0.42) L3MBTL1SNCANPC1RAB9AKMT2A
SCHEMBL6837102 0.73 KMT2A (0.51) L3MBTL1SNCANPC1RAB9AKMT2A
SCHEMBL370457 0.73 KLKB1 (0.48) L3MBTL1SNCANPC1RAB9AKMT2A
SCHEMBL6837432 0.73 KMT2A (0.41) L3MBTL1SNCAPKMNPC1RAB9A

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 L3MBTL1 4663/4885SNCA 2827/4885PKM 1736/4885

“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.