SCHEMBL2828117

SCHEMBL2828117

COc1ncccc1N=C=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 1.00
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
ABCB11 O95342 1/20 0.38
NR3C1 P04150 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX15 P16050 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
CCR2 P41597 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL11710600 0.85 APLNR (0.74) APLNRALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL14058875 0.83 APLNR (0.71) APLNRALDH1A1HPGDABCB11NR3C1
SCHEMBL11712196 0.81 APLNR (0.67) APLNRALDH1A1ALOX15HSD17B10GAA
SCHEMBL11707556 0.78 APLNR (0.64) APLNRALDH1A1HPGDABCB11NR3C1
SCHEMBL23577138 0.76 APLNR (0.61) APLNRALDH1A1HPGDABCB11NR3C1
SCHEMBL21299861 0.76 APLNR (0.61) APLNRALDH1A1CYP1A2GAAL3MBTL1
SCHEMBL1135493 0.75 APLNR (0.58) APLNR
SCHEMBL1307755 0.74 APLNR (0.57) APLNRALDH1A1HPGDABCB11NR3C1
SCHEMBL7388303 0.73 APLNR (0.58) APLNRALDH1A1HPGDABCB11NR3C1
SCHEMBL14010924 0.72 APLNR (0.56) APLNRALDH1A1ALOX15TDP1L3MBTL1

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
CN-108137545-B Triazole agonists of the APJ receptor 美国安进公司 2020-09-22 CN disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 US disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
US-10221162-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2019-03-05 US disclosed
WO-2016187308-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2016-11-24 WO disclosed
WO-2016187308-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2016-11-24 WO disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
WO-2009010871-A2 PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR ADDEX PHARMA S.A. (CH) 2009-01-22 WO disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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 (5 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 APLNR 544/4885ALDH1A1 913/4885HPGD 3995/4885
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B APLNR 296/4885ALDH1A1 2621/4885HPGD 1597/4885
US-10344016-B2 Bromotriazole intermediates APH1A, BRDT, APH1B APLNR 296/4885ALDH1A1 2621/4885HPGD 1597/4885
US-10221162-B2 Triazole agonists of the APJ receptor TBXA2R, AGTR1, AGTR2 APLNR 4/4885ALDH1A1 1773/4885HPGD 1586/4885
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 APLNR 4/4885ALDH1A1 1773/4885HPGD 1586/4885

“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.