SCHEMBL20189416

SCHEMBL20189416

Nc1nnc(-c2ccc(F)s2)n1-c1ccccc1OC(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 9/20 1.00
KCNN4 O15554 4/20 0.39
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1I2 O75469 1/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL20188400 0.85 APLNR (0.74) APLNRKCNN4ALDH1A1GAAHPGD
SCHEMBL20189481 0.82 APLNR (0.69) APLNRKCNN4ALDH1A1HPGDHSD17B10
SCHEMBL20207602 0.76 APLNR (0.62) APLNRKCNN4
SCHEMBL20189164 0.74 APLNR (0.87) APLNR
SCHEMBL20168139 0.71 APLNR (1.00) APLNR
Hydrochloric Acid SCHEMBL19095396 0.64 APLNR (0.73) APLNRALDH1A1GAAHPGDHSD17B10
Hydrochloric Acid SCHEMBL31608490 0.64 APLNR (0.73) APLNRALDH1A1GAAHPGDHSD17B10
SCHEMBL4654255 0.58 DRD1 (0.48) ALDH1A1GAAL3MBTL1NR1I2
SCHEMBL20207539 0.58 APLNR (0.50) APLNRALDH1A1GAAHPGDHSD17B10
SCHEMBL20190629 0.58 MEN1 (0.59) APLNRALDH1A1GAAHPGDHSD17B10

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 13/4885KCNN4 1349/4885ALDH1A1 1929/4885

“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.