SCHEMBL22652008

SCHEMBL22652008

CC(C)(N)CC(C)(C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.46
SLC6A2 P23975 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC15A1 P46059 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL19303305 0.87 ALDH1A1 (0.55) ALDH1A1KMT2ASLC6A2TDP1MAPK1
SCHEMBL19956533 0.85 ALDH1A1 (0.53) ALDH1A1KMT2ASLC6A2TDP1MAPK1
SCHEMBL14530084 0.85 ALDH1A1 (0.53) ALDH1A1KMT2ASLC6A2TDP1MAPK1
SCHEMBL12890754 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ASLC6A2TDP1MAPK1
SCHEMBL13059632 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ASLC6A2TDP1MAPK1
SCHEMBL23257955 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ASLC6A2TDP1MAPK1
SCHEMBL12890758 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ASLC6A2TDP1MAPK1
SCHEMBL12890635 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ASLC6A2TDP1MAPK1
SCHEMBL4178872 0.83 ALDH1A1 (0.55) ALDH1A1KMT2ASLC6A2TDP1MAPK1
SCHEMBL1809268 0.83 ALDH1A1 (0.58) ALDH1A1KMT2ASLC6A2TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530206-B2 Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2022-12-20 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 (2 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-11530206-B2 Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 ALDH1A1 2271/4885KMT2A 1613/4885SLC6A2 3120/4885
US-20200354352-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2271/4885KMT2A 1613/4885SLC6A2 3120/4885

“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.