SCHEMBL370406

SCHEMBL370406

COc1ccc(Cn2cc3c(n2)N(CC2CCN(C(=O)OC(C)(C)C)CC2)CCc2sc(Nc4ncc(F)cn4)nc2-3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.38
KDM1A O60341 2/20 0.38
ACHE P22303 2/20 0.37
BACE1 P56817 1/20 0.36
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.36
MAPT P10636 1/20 0.36
NPY5R Q15761 3/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SLC2A1 P11166 1/20 0.35
STS P08842 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL15302907 0.90 ACHE (0.37) MERTKACHENPY5R
SCHEMBL16243119 0.89 KDM1A (0.40) KDM1AACHEMAPTALDH1A1
SCHEMBL370407 0.86 ACHE (0.35) ACHEMAPTNPY5RTP53
SCHEMBL16242726 0.83 ACHE (0.34) KDM1AACHEMAPTNPY5RTP53
SCHEMBL366145 0.82 ACHE (0.36) ACHEMAPTTP53MEN1KMT2A
SCHEMBL366988 0.80 ACHE (0.34) ACHE
SCHEMBL15302887 0.80 ACHE (0.34) ACHE
SCHEMBL367809 0.80 ACHE (0.34) ACHEMAPTNPY5RTP53ALDH1A1
SCHEMBL368225 0.80 ACHE (0.37) ACHEMAPTTP53ALDH1A1TSHR
SCHEMBL16242725 0.80 CACNA2D1 (0.34) ACHE

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 MERTK 1586/4885KDM1A 1265/4885ACHE 839/4885

“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.