SCHEMBL23329003

SCHEMBL23329003

CN(CCN(C)c1ccc(N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.37
PDK2 Q15119 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
PAX8 Q06710 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAOA P21397 1/20 0.33
HTR3A P46098 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PSMD14 O00487 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
SCHEMBL29602667 0.87 GBA1 (0.42) GBA1PDK2AAK1L3MBTL1PAX8
SCHEMBL4764555 0.85 GBA1 (0.51) GBA1PDK2CYP3A4TP53L3MBTL1
SCHEMBL3919915 0.83 GBA1 (0.41) GBA1PDK2HTR2CSLC6A4
SCHEMBL22827366 0.83 GBA1 (0.35) GBA1PHLPP2PDK2ALDH1A1CYP3A4
SCHEMBL29607320 0.83 CYP2A6 (0.41) GBA1PDK2ALDH1A1AAK1L3MBTL1
SCHEMBL21999069 0.82 MMP2 (0.37) GBA1PHLPP2PDK2AAK1
SCHEMBL3938663 0.82 PHLPP2 (0.43) GBA1PHLPP2PDK2ALDH1A1CYP3A4
SCHEMBL15807564 0.81 LMNA (0.41) PHLPP2PDK2L3MBTL1GFER
SCHEMBL31606972 0.81 MAPT (0.52) GBA1PHLPP2ALDH1A1CYP3A4MAPK1
SCHEMBL4873059 0.81 ESRRG (0.42) GBA1PHLPP2PDK2AAK1HRH3

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-11365196-B2 FGFR inhibitor and application thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-06-21 US disclosed
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-05-06 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-11365196-B2 FGFR inhibitor and application thereof FGFR1, FGFR4, FGFR2 GBA1 2749/4885PHLPP2 1616/4885PDK2 902/4885
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF FGFR1, FGFR4, FGFR2 GBA1 2998/4885PHLPP2 1770/4885PDK2 1113/4885

“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.