SCHEMBL22652007

SCHEMBL22652007

C=Cc1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SIRT6 Q8N6T7 2/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ CHRNA7 P36544 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL25215803 0.83 CHRNB2 (0.35) KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL26629221 0.83 CHRNB2 (0.35) KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL22652044 0.81 ALDH1A1 (0.36) KCNH2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL22652198 0.81 ALDH1A1 (0.36) KCNH2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL22652110 0.80 MAPT (0.38) KCNH2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL26677915 0.80 MAPT (0.38) KCNH2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL30411911 0.79 F13A1 (0.45) ALDH1A1MAPTHSD11B1LMNA
SCHEMBL30635735 0.79 F13A1 (0.45) ALDH1A1MAPTHSD11B1LMNA
SCHEMBL26165411 0.78 CHRNB2 (0.58) —
SCHEMBL30900358 0.77 TUBB4A (0.44) ALDH1A1MAPTSIRT6HSD11B1LMNA

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 KCNH2 4870/4885ALDH1A1 2251/4885CDK4 133/4885
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 KCNH2 4870/4885ALDH1A1 2251/4885CDK4 133/4885
US-20230039712-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 KCNH2 4864/4885ALDH1A1 2271/4885CDK4 105/4885
US-11530206-B2 Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 KCNH2 4864/4885ALDH1A1 2271/4885CDK4 105/4885
US-20200354352-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 KCNH2 4864/4885ALDH1A1 2271/4885CDK4 105/4885
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 KCNH2 4870/4885ALDH1A1 2251/4885CDK4 133/4885

“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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