SCHEMBL20189540

SCHEMBL20189540

COc1cccc(OC)c1N/C(=N\N)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
ADRB2 P07550 1/20 0.39
GRM4 Q14833 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
SNCA P37840 1/20 0.35
CTSA P10619 1/20 0.35
RBBP9 O75884 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20189542 1.00 GAA (0.41) GAARAB9ANPC1ADRB2GRM4
SCHEMBL20207359 1.00 GAA (0.41) GAARAB9ANPC1ADRB2GRM4
SCHEMBL20207639 0.88 GAA (0.41) GAARAB9ANPC1ADRB2GRM4
SCHEMBL20207357 0.80 GAA (0.43) GAARAB9ANPC1ADRB2GRM4
SCHEMBL20190237 0.80 GAA (0.43) GAARAB9ANPC1ADRB2GRM4
SCHEMBL20188746 0.80 GRM4 (0.52) GAARAB9ANPC1ADRB2GRM4
SCHEMBL20188874 0.75 GAA (0.37) GAAMAPK1ALDH1A1KDM4EHPGD
SCHEMBL22537280 0.75 GAA (0.37) GAAMAPK1ALDH1A1KDM4EHPGD
SCHEMBL20188875 0.75 GAA (0.37) GAAMAPK1ALDH1A1KDM4EHPGD
SCHEMBL23583951 0.74 KMT2A (0.46) GAANPC1KMT2AMEN1KDM4E

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 4 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
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

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 GAA 4208/4885RAB9A 728/4885NPC1 1403/4885

“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.