SCHEMBL22648246

SCHEMBL22648246

Cc1nn(C2CCN(C3COC3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.34
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LRRK2 Q5S007 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 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
SCHEMBL4561064 0.93 LRRK2 (0.34) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4561066 0.93 LRRK2 (0.34) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4561604 0.88 ALDH1A1 (0.35) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL17027328 0.84 MAPT (0.39) IRAK4ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL25018637 0.83 ALDH1A1 (0.34) DRD2DRD4DRD3ALDH1A1MAPT
SCHEMBL26695891 0.83 LRRK2 (0.49) LRRK2
SCHEMBL15995826 0.82 CCNE1 (0.39) DRD2DRD4DRD3MAPT
SCHEMBL20652286 0.81 ALDH1A1 (0.38) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16985306 0.81 MAPT (0.33) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30267448 0.79 KMT2A (0.40) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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-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
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 IRAK4 2401/4885DRD2 4531/4885DRD4 4544/4885
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 IRAK4 2401/4885DRD2 4531/4885DRD4 4544/4885
US-20230047915-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 IRAK4 2910/4885DRD2 4356/4885DRD4 4430/4885
US-20200354346-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 IRAK4 2910/4885DRD2 4356/4885DRD4 4430/4885
US-11518758-B2 Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 IRAK4 2910/4885DRD2 4356/4885DRD4 4430/4885
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 IRAK4 2401/4885DRD2 4531/4885DRD4 4544/4885

“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.