SCHEMBL22652198

SCHEMBL22652198

CN1C[C@@H]2C[C@H]1CN2c1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SIRT6 Q8N6T7 2/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KCNH2 Q12809 3/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ HPGD P15428 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
SCHEMBL22652044 1.00 ALDH1A1 (0.36) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL26677915 0.82 MAPT (0.38) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL22652110 0.82 MAPT (0.38) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL25229491 0.81 AKR1C3 (0.37) MAPTL3MBTL1SIRT6CYP19A1MAPK1
SCHEMBL26629228 0.81 AKR1C3 (0.37) MAPTL3MBTL1SIRT6CYP19A1MAPK1
SCHEMBL22652007 0.81 KCNH2 (0.35) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL30900358 0.80 TUBB4A (0.44) ALDH1A1MAPTSIRT6HSD11B1MAPK1
SCHEMBL11905273 0.80 SIRT6 (0.44) ALDH1A1MAPTSIRT6
SCHEMBL6887537 0.79 SIRT6 (0.58) ALDH1A1MAPTSIRT6HSD11B1MAPK1
SCHEMBL9145657 0.78 SIRT6 (0.46) ALDH1A1MAPTSIRT6KCNH2CHRNA7

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-20230039712-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-02-09 — — US disclosed
US-11530206-B2 Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2022-12-20 — — US disclosed
US-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2021-05-06 — — US disclosed
US-20200354352-A1 PHENYLAMINOPYRIMIDINE 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 2251/4885MAPT 940/4885CYP1A2 4030/4885
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 ALDH1A1 2251/4885MAPT 940/4885CYP1A2 4030/4885
US-20230039712-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2271/4885MAPT 817/4885CYP1A2 3721/4885
US-11530206-B2 Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 ALDH1A1 2271/4885MAPT 817/4885CYP1A2 3721/4885
US-20200354352-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2271/4885MAPT 817/4885CYP1A2 3721/4885
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2251/4885MAPT 940/4885CYP1A2 4030/4885

“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.

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