SCHEMBL20190106

SCHEMBL20190106

COc1cccc(Br)c1-n1c(N)nnc1-c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 18/20 0.52
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL20190224 0.91 APLNR (0.57) APLNRALDH1A1POLBHPGDHIF1A
SCHEMBL20190250 0.88 APLNR (0.53) APLNRALDH1A1POLBHPGDHIF1A
SCHEMBL20191039 0.81 APLNR (0.52) APLNRALDH1A1POLBHPGDHIF1A
SCHEMBL20190629 0.80 MEN1 (0.59) APLNRALDH1A1POLBHPGDHIF1A
SCHEMBL20191001 0.78 APLNR (0.44) APLNRALDH1A1POLBHPGDHIF1A
SCHEMBL20189275 0.78 APLNR (0.62) APLNRALDH1A1POLBHPGDHIF1A
SCHEMBL20190589 0.77 APLNR (0.52) APLNRALDH1A1POLBHPGDHIF1A
SCHEMBL20190933 0.77 APLNR (0.55) APLNRALDH1A1HPGDNPC1MAPT
SCHEMBL22518549 0.74 APLNR (0.60) APLNR
SCHEMBL20201177 0.74 APLNR (0.57) APLNRALDH1A1POLBHPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
EP-3541792-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 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 (2 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-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR APLNR 3/4885ALDH1A1 1700/4885POLB 4195/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR APLNR 3/4885ALDH1A1 1700/4885POLB 4195/4885

“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.