SCHEMBL17610338

SCHEMBL17610338

Cc1nn(C2CCNCC2)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.39
TLR7 Q9NYK1 4/20 0.39
TLR9 Q9NR96 3/20 0.39
TLR4 O00206 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR6 P50406 1/20 0.35
IGF1R P08069 1/20 0.35
CDK2 P24941 1/20 0.35
KCNH2 Q12809 1/20 0.35
PAICS P22234 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
Hydrochloric Acid SCHEMBL31254154 0.99 TLR8 (0.39) TLR8TLR7TLR9TLR4GABRA1
SCHEMBL4561143 0.92 GABRA1 (0.35) TLR8TLR7TLR9TLR4GABRA1
SCHEMBL4561142 0.92 GABRA1 (0.35) TLR8TLR7TLR9TLR4GABRA1
SCHEMBL25018637 0.89 ALDH1A1 (0.34) ALDH1A1POLB
SCHEMBL20652286 0.86 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL30267448 0.85 KMT2A (0.40) ALDH1A1
SCHEMBL26165171 0.85 ALDH1A1 (0.35) CHRNB2CHRNA4HTR6ALDH1A1POLB
SCHEMBL17027328 0.84 MAPT (0.39) ALDH1A1
SCHEMBL18131219 0.82 MAPT (0.37) TLR8TLR7TLR9TLR4ALDH1A1
SCHEMBL15995826 0.82 CCNE1 (0.39) TLR8HTR6CDK2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-10-26 US disclosed
EP-3966206-B1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS LLC (US) 2023-08-09 EP disclosed
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2023-02-28 US disclosed
US-20230047915-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-02-16 US disclosed
US-11518758-B2 Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2022-12-06 US disclosed
US-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2021-05-06 US disclosed
US-20200354346-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2020-11-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 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 (7 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 TLR8 2700/4885TLR7 2279/4885TLR9 3374/4885
US-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 TLR8 3261/4885TLR7 3788/4885TLR9 3716/4885
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 TLR8 3261/4885TLR7 3788/4885TLR9 3716/4885
US-20230047915-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 TLR8 4096/4885TLR7 4295/4885TLR9 4381/4885
US-20200354346-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 TLR8 4096/4885TLR7 4295/4885TLR9 4381/4885
US-11518758-B2 Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 TLR8 4096/4885TLR7 4295/4885TLR9 4381/4885
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 TLR8 3261/4885TLR7 3788/4885TLR9 3716/4885

“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.