SCHEMBL20045452

SCHEMBL20045452

C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3CC2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MPI P34949 1/20 0.36
KMT2A Q03164 1/20 0.36
KRAS P01116 8/20 0.36
BTK Q06187 8/20 0.35
ACHE P22303 1/20 0.35
LCK P06239 1/20 0.33
SRC P12931 1/20 0.33
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32

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
SCHEMBL20046515 0.92 KRAS (0.37) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL20132862 0.87 KDM4E (0.38) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL20045428 0.87 KRAS (0.39) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL20046109 0.86 KDM4E (0.40) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL20045950 0.85 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL20045929 0.82 KRAS (0.36) KRASACHE
SCHEMBL20045462 0.82 KRAS (0.38) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL24850607 0.81 KRAS (0.36) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL20045953 0.81 KRAS (0.39) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL20045924 0.80 KRAS (0.39) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 US disclosed
WO-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 WO 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-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS KDM4E 3709/4885MEN1 192/4885ALDH1A1 4072/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KDM4E 3583/4885MEN1 266/4885ALDH1A1 4303/4885

“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.