SCHEMBL23809296

SCHEMBL23809296

CC(C)c1cn(C)c2ccc(-c3ncn(-c4ccccn4)n3)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MCL1 Q07820 2/20 0.37
RIPK1 Q13546 6/20 0.34
ALKBH2 Q6NS38 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ATM Q13315 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.31
ROCK1 Q13464 1/20 0.31
TSHR P16473 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
NR4A2 P43354 1/20 0.30

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
SCHEMBL23809239 0.88 MEN1 (0.36) GRM5MEN1KMT2ALMNAMAPT
SCHEMBL26581671 0.85 GRM5 (0.50) GRM5MEN1KMT2ALMNAMAPT
SCHEMBL20605179 0.84 GRM5 (0.49) GRM5MEN1KMT2ALMNAMAPT
SCHEMBL23809246 0.81 MEN1 (0.43) MEN1KMT2ALMNAMAPTHTT
SCHEMBL23809218 0.80 DRD2 (0.42) MEN1KMT2ALMNAMAPTHTT
SCHEMBL23809256 0.79 IRAK4 (0.33) MCL1RIPK1IRAK4
SCHEMBL23809522 0.78 MEN1 (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL23809465 0.77 MTNR1A (0.37) MCL1RIPK1NR4A2
SCHEMBL20604804 0.76 GRM5 (0.52) GRM5
SCHEMBL26581668 0.72 MCL1 (0.39) GRM5MEN1KMT2ALMNAMAPT

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 GRM5 2704/4885MEN1 3549/4885KMT2A 824/4885

“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.