SCHEMBL20187769

SCHEMBL20187769

COc1ccc(Br)cc1-n1c(N)nnc1-c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 14/20 1.00
DCTPP1 Q9H773 1/20 0.45
MAPK1 P28482 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL20190468 0.84 APLNR (1.00) APLNRDCTPP1MAPK1HPGDSMN1; SMN2
SCHEMBL17298109 0.84 APLNR (0.74) APLNRDCTPP1MAPK1HPGDHSD17B10
Hydrochloric Acid SCHEMBL19095396 0.83 APLNR (0.73) APLNRDCTPP1MAPK1HPGDHSD17B10
Hydrochloric Acid SCHEMBL31608490 0.83 APLNR (0.73) APLNRDCTPP1MAPK1HPGDHSD17B10
SCHEMBL20189712 0.80 APLNR (1.00) APLNRDCTPP1MAPK1HSD17B10TSHR
SCHEMBL20187959 0.79 APLNR (0.65) APLNRMAPK1HPGDHSD17B10TSHR
SCHEMBL20207594 0.78 APLNR (0.64) APLNR
SCHEMBL20189941 0.78 APLNR (1.00) APLNRDCTPP1MAPK1HPGDHSD17B10
SCHEMBL20189275 0.77 APLNR (0.62) APLNRDCTPP1MAPK1HPGDHSD17B10
SCHEMBL20189982 0.75 APLNR (0.88) APLNRDCTPP1MAPK1HPGDHSD17B10

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-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP 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-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS 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 (1 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 13/4885DCTPP1 4013/4885MAPK1 1059/4885

“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.