SCHEMBL20168650

SCHEMBL20168650

COc1ccc(Br)cc1-n1c(N)nnc1C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.56
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 5/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
JAK2 O60674 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
AVPR1A P37288 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL21380369 0.82 HPGD (0.45) APLNRALDH1A1KDM4EHPGDHIF1A
SCHEMBL20177578 0.76 APLNR (0.44) APLNRALDH1A1KDM4EHPGDHIF1A
SCHEMBL20177561 0.73 APLNR (0.52) APLNRHPGDUSP2TSHRHSD17B10
SCHEMBL20177593 0.72 APLNR (0.46) APLNRHPGDLMNAMAPT
SCHEMBL20187769 0.71 APLNR (1.00) APLNRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL20166347 0.71 APLNR (0.67) APLNR
SCHEMBL20189275 0.69 APLNR (0.62) APLNRALDH1A1KDM4EHPGDHIF1A
SCHEMBL20177731 0.68 ALDH1A1 (0.35) ALDH1A1LMNAMEN1JAK2KMT2A
SCHEMBL2277814 0.65 TDP1 (0.54) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL15270892 0.65 PTGDR2 (0.52) ALDH1A1KDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541804-B1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-22 EP disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
EP-3541804-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
WO-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 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 (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-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R APLNR 4/4885ALDH1A1 2409/4885KDM4E 4750/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R APLNR 4/4885ALDH1A1 2409/4885KDM4E 4750/4885

“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.