SCHEMBL23809246

SCHEMBL23809246

CC(C)c1cn(C)c2ccc(-c3ncccn3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR4A2 P43354 5/20 0.36
BRD4 O60885 1/20 0.35
CLK4 Q9HAZ1 2/20 0.34
DYRK1A Q13627 1/20 0.34
IDO1 P14902 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP19A1 P11511 1/20 0.33
KCNH2 Q12809 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
SCHEMBL23809522 0.85 MEN1 (0.47) MEN1LMNAMAPTHTTKMT2A
SCHEMBL23809239 0.84 MEN1 (0.36) MEN1LMNAMAPTHTTKMT2A
SCHEMBL23809165 0.82 MTNR1A (0.43) NR4A2CLK4DYRK1AMTNR1AMTNR1B
SCHEMBL23809218 0.82 DRD2 (0.42) MEN1LMNAMAPTHTTKMT2A
SCHEMBL23809296 0.81 GRM5 (0.47) MEN1LMNAMAPTHTTKMT2A
SCHEMBL23809461 0.81 NR4A2 (0.34) MEN1LMNAMAPTHTTKMT2A
SCHEMBL26581389 0.80 NR4A2 (0.38) MEN1LMNAMAPTHTTKMT2A
SCHEMBL23809421 0.79 DYRK1A (0.40) NPSR1DYRK1A
SCHEMBL20604847 0.79 HASPIN (0.46) MEN1LMNAMAPTHTTKMT2A
SCHEMBL23809227 0.78 TP53 (0.49) LMNAMAPTNPSR1TDP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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 (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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MEN1 3549/4885LMNA 3021/4885MAPT 2996/4885

“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.