SCHEMBL23794485

SCHEMBL23794485

COC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 5/20 0.42
AURKA O14965 1/20 0.41
BTK Q06187 2/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 2/20 0.39
PGR P06401 1/20 0.37
GPR183 P32249 1/20 0.37
SMO Q99835 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KIF18A Q8NI77 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL23794489 0.85 KMT2A (0.44) KDM4EKMT2ABTKKCNH2ALDH1A1
SCHEMBL17128362 0.77 KDM4E (0.43) KDM4EKMT2AAURKAALDH1A1MEN1
SCHEMBL20055968 0.76 CRBN (0.50) KDM4EKMT2AAURKAALDH1A1MEN1
SCHEMBL16834789 0.76 CRBN (0.50) KDM4EKMT2AAURKAALDH1A1MEN1
SCHEMBL24117737 0.75 KDM4E (0.49) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL17128144 0.74 KMT2A (0.57) KDM4EKMT2AAURKAALDH1A1MEN1
SCHEMBL16846259 0.74 KMT2A (0.57) KDM4EKMT2AAURKAALDH1A1MEN1
SCHEMBL17128364 0.72 KDM4E (0.39) KDM4EKMT2AAURKAALDH1A1MEN1
SCHEMBL15547008 0.71 KDM4E (0.50) KDM4EKMT2AAURKAALDH1A1MEN1
SCHEMBL18528170 0.71 KDM4E (0.47) KDM4EKMT2AAURKAALDH1A1MEN1

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-20210395248-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
US-20210395248-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
EP-3877387-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2021-09-15 EP 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 (1 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-20210395248-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H KDM4E 2058/4885KMT2A 3417/4885AURKA 2014/4885

“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.