SCHEMBL20177578

SCHEMBL20177578

COc1cccc(Br)c1-n1c(N)nnc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 16/20 0.44
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HIF1A Q16665 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL20177561 0.89 APLNR (0.52) APLNRHPGDUSP2POLBPKM
SCHEMBL20177731 0.87 ALDH1A1 (0.35) PKMALDH1A1
SCHEMBL21380369 0.80 HPGD (0.45) APLNRHPGDUSP2POLBPKM
SCHEMBL21389834 0.77 APLNR (0.54) APLNR
SCHEMBL20168650 0.76 APLNR (0.56) APLNRHPGDUSP2POLBPKM
SCHEMBL19550857 0.76 APLNR (0.53) APLNR
SCHEMBL19551003 0.76 APLNR (0.53) APLNR
SCHEMBL19550858 0.76 APLNR (0.53) APLNR
SCHEMBL20514023 0.76 APLNR (0.48) APLNRHPGDUSP2POLBPKM
SCHEMBL21389835 0.73 APLNR (0.50) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
EP-3541805-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS Amgen Inc. (US) 2019-09-25 EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 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 (3 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-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R APLNR 13/4885HPGD 1646/4885USP2 4386/4885
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R APLNR 4/4885HPGD 1533/4885USP2 4124/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R APLNR 4/4885HPGD 1533/4885USP2 4124/4885

“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.