SCHEMBL20189941

SCHEMBL20189941

COc1cccc(OC)c1-n1c(N)nnc1-c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 12/20 1.00
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
DCTPP1 Q9H773 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RPS6KB2 Q9UBS0 1/20 0.40

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
SCHEMBL20189982 0.94 APLNR (0.88) APLNRHSD17B10TSHRMAPK1DCTPP1
SCHEMBL17298109 0.85 APLNR (0.74) APLNRHSD17B10TSHRMAPK1DCTPP1
Hydrochloric Acid SCHEMBL31608490 0.84 APLNR (0.73) APLNRHSD17B10TSHRMAPK1DCTPP1
Hydrochloric Acid SCHEMBL19095396 0.84 APLNR (0.73) APLNRHSD17B10TSHRMAPK1DCTPP1
SCHEMBL20514187 0.84 APLNR (0.72) APLNRHSD17B10TSHRMAPK1DCTPP1
SCHEMBL20189701 0.82 APLNR (0.69) APLNRHSD17B10ALDH1A1HPGD
SCHEMBL20188607 0.79 APLNR (0.65) APLNR
SCHEMBL20187769 0.78 APLNR (1.00) APLNRHSD17B10TSHRMAPK1DCTPP1
SCHEMBL22518538 0.77 APLNR (0.63) APLNR
SCHEMBL20180784 0.77 APLNR (0.73) APLNRTSHRKDM4EALDH1A1

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 13/4885HSD17B10 1173/4885TSHR 254/4885

“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.