SCHEMBL3584589

SCHEMBL3584589

C=CCn1c(=O)[nH]nc(Br)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.42
CYP3A4 P08684 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
USP2 O75604 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA2A P29274 2/20 0.36
GAA P10253 1/20 0.36
PLK1 P53350 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KMT2A Q03164 2/20 0.35

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
SCHEMBL5391863 0.76 CYP3A4 (0.46) ADORA2BCYP3A4ADORA3ALDH1A1NPC1
SCHEMBL5391867 0.74 CYP3A4 (0.45) ADORA2BCYP3A4ADORA3ALDH1A1NPC1
SCHEMBL7763858 0.74 CYP3A4 (0.45) ADORA2BCYP3A4ADORA3USP2ALDH1A1
SCHEMBL21853415 0.71 CYP3A4 (0.42) ADORA2BCYP3A4ADORA3ALDH1A1NPC1
SCHEMBL9413995 0.70 ALDH1A1 (0.48) ADORA2BCYP3A4ADORA3ALDH1A1NPC1
SCHEMBL3291766 0.70 ATM (0.44) ADORA2BADORA3USP2ALDH1A1NPC1
SCHEMBL8505340 0.70 GAA (0.42) ADORA2BCYP3A4ADORA3ALDH1A1NPC1
SCHEMBL1780466 0.68 ADORA2B (0.41) ADORA2BADORA3USP2ALDH1A1MAPT
SCHEMBL3285126 0.68 ALDH1A1 (0.50) CYP3A4USP2ALDH1A1MAPTNPSR1
SCHEMBL1782594 0.67 ADRA1D (0.35) PLK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348561-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS TERNS PHARMACEUTICALS INC (US) 2022-11-03 US disclosed
US-11203587-B2 Thyroid hormone receptor beta agonist compounds Terns, Inc. (US) 2021-12-21 US disclosed
EP-3863635-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. (US) 2021-08-18 EP disclosed
CN-112839655-A Thyroid hormone receptor beta agonist compounds 拓臻股份有限公司 2021-05-25 CN disclosed
US-20200115362-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS TERNS PHARMACEUTICALS, INC. (KY) 2020-04-16 US disclosed
EP-2104670-B3 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-09-21 EP disclosed
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP disclosed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
EP-2104670-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS Addex Pharma SA (CH) 2009-09-30 EP disclosed
WO-2008056257-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMA S.A (CH) 2008-05-15 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 (6 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ADORA2B 128/4885CYP3A4 1111/4885ADORA3 151/4885
US-20220348561-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS THRB, THRA, TSHR ADORA2B 441/4885CYP3A4 2825/4885ADORA3 333/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ADORA2B 128/4885CYP3A4 1111/4885ADORA3 151/4885
US-20200115362-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS THRB, THRA, TSHR ADORA2B 441/4885CYP3A4 2825/4885ADORA3 333/4885
US-11203587-B2 Thyroid hormone receptor beta agonist compounds THRB, THRA, TSHR ADORA2B 441/4885CYP3A4 2825/4885ADORA3 333/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ADORA2B 128/4885CYP3A4 1111/4885ADORA3 151/4885

“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.