SCHEMBL20207310

SCHEMBL20207310

NNC(=O)c1cccc2c1NC(=O)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.64
GRM5 P41594 2/20 0.60
AHR P35869 2/20 0.50
PDK2 Q15119 1/20 0.40
IDO1 P14902 1/20 0.39
CTSD P07339 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP2 O95551 2/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
MAP3K14 Q99558 1/20 0.38
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL9376495 0.82 SMYD3 (0.57) SMYD3GRM5AHRPDK2TDP2
SCHEMBL30364024 0.82 SMYD3 (0.57) SMYD3GRM5AHRPDK2TDP2
SCHEMBL9374810 0.80 AHR (0.56) SMYD3GRM5AHRPDK2CA1
SCHEMBL9667507 0.79 GRM5 (0.57) SMYD3GRM5AHRPDK2IDO1
SCHEMBL19710087 0.78 SMYD3 (1.00) SMYD3GRM5DRD2DRD3
SCHEMBL21489733 0.78 SMYD3 (1.00) SMYD3GRM5
SCHEMBL19710426 0.78 SMYD3 (1.00) SMYD3GRM5
SCHEMBL9835714 0.78 SMYD3 (0.50) SMYD3GRM5AHRPDK2IDO1
SCHEMBL1639672 0.78 SMYD3 (0.53) SMYD3GRM5AHRPDK2ALDH1A1
SCHEMBL9667584 0.75 SMYD3 (0.53) SMYD3GRM5AHRPDK2TDP2

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 5 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
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 SMYD3 4120/4885GRM5 304/4885AHR 158/4885

“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.