SCHEMBL23809236

SCHEMBL23809236

CC(C)c1cn(CC(=O)N2CCOCC2)c2ccc(-c3ncn(C)n3)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 11/20 0.44
▸ MCL1 Q07820 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL23809214 0.92 MCL1 (0.41) GRIN2BMCL1KMT2ALMNA
SCHEMBL23809423 0.91 MCL1 (0.42) GRIN2BMCL1KMT2APTGS2NPC1
SCHEMBL26581333 0.88 GRIN2B (0.52) GRIN2BMCL1MEN1KMT2ALMNA
SCHEMBL20605074 0.87 GRIN2B (0.45) GRIN2BMCL1MEN1KMT2ALMNA
SCHEMBL23809414 0.85 HTR1A (0.42) MCL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23809510 0.81 GRIN2B (0.39) GRIN2BMCL1
SCHEMBL23800639 0.80 GRIN2B (0.52) GRIN2BPTGS2
SCHEMBL26581336 0.79 GRIN2B (0.50) GRIN2BMCL1MAPTTP53
SCHEMBL20604943 0.78 GRIN2B (0.43) GRIN2BMCL1KMT2A
SCHEMBL26581555 0.78 MCL1 (0.46) GRIN2BMCL1KMT2APTGS2

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 GRIN2B 3904/4885MCL1 1/4885MEN1 3549/4885

“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.

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