SCHEMBL22648396

SCHEMBL22648396

Cc1nn(CCN2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SIGMAR1 Q99720 3/20 0.41
KDM4E B2RXH2 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TXNRD1 Q16881 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
LTA4H P09960 2/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL22648291 0.99 ALDH1A1 (0.44) ALDH1A1SIGMAR1KDM4EHRH3MEN1
SCHEMBL22648367 0.92 ALDH1A1 (0.43) ALDH1A1SIGMAR1KDM4EHRH3MEN1
SCHEMBL22648411 0.90 ALDH1A1 (0.44) ALDH1A1SIGMAR1KDM4EHRH3MEN1
SCHEMBL13634212 0.89 KMT2A (0.49) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL22648393 0.82 CYP1A2 (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1559636 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL16975359 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHTTLMNAPOLB
SCHEMBL16056340 0.78 ALDH1A1 (0.53) ALDH1A1SIGMAR1KDM4EHRH3MEN1
SCHEMBL18463627 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL17610365 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ALMNA

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 8 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2251/4885SIGMAR1 3620/4885KDM4E 1497/4885
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 ALDH1A1 2251/4885SIGMAR1 3620/4885KDM4E 1497/4885
US-20230047915-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2874/4885SIGMAR1 3286/4885KDM4E 1769/4885
US-20200354346-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2874/4885SIGMAR1 3286/4885KDM4E 1769/4885
US-11518758-B2 Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 ALDH1A1 2874/4885SIGMAR1 3286/4885KDM4E 1769/4885
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2251/4885SIGMAR1 3620/4885KDM4E 1497/4885

“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.