SCHEMBL22648384

SCHEMBL22648384

CCN1CCC(n2cc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
DRD4 P21917 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ACHE P22303 1/20 0.39
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
KHK P50053 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 1/20 0.35
MEN1 O00255 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
SCHEMBL22648279 0.86 SIGMAR1 (0.47) ALDH1A1KMT2ADRD4SIGMAR1ACHE
SCHEMBL24222179 0.85 SIGMAR1 (0.38) ALDH1A1DRD4SIGMAR1ACHEGSK3B
SCHEMBL1558099 0.84 SIRT6 (0.40) ALDH1A1HPGDACHEGSK3BDYRK1A
SCHEMBL1558028 0.84 SIGMAR1 (0.40) ALDH1A1KMT2ADRD4SIGMAR1ACHE
SCHEMBL16513259 0.84 DYRK1A (0.40) ALDH1A1DRD4SIGMAR1ACHEGSK3B
SCHEMBL174612 0.83 F2 (0.41) ALDH1A1KMT2ADRD4SIGMAR1ACHE
SCHEMBL21526529 0.83 FGFR1 (0.41) DRD4SIGMAR1
SCHEMBL21526388 0.83 ACVR1 (0.38) ALDH1A1DRD4SIGMAR1ACHEGSK3B
SCHEMBL27834489 0.82 EPHX2 (0.48) ALDH1A1KMT2AACHEL3MBTL1MET
SCHEMBL21548860 0.81 DRD4 (0.35) ALDH1A1DRD4SIGMAR1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966206-B1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS LLC (US) 2023-08-09 EP 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-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 (3 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-20230047915-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2874/4885KMT2A 1530/4885HPGD 2160/4885
US-20200354346-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2874/4885KMT2A 1530/4885HPGD 2160/4885
US-11518758-B2 Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 ALDH1A1 2874/4885KMT2A 1530/4885HPGD 2160/4885

“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.