SCHEMBL26581333

SCHEMBL26581333

Cc1cn(CC(=O)N2CCOCC2)c2ccc(-c3ncn(C)n3)cc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 11/20 0.52
▸ MCL1 Q07820 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTGS2 P35354 1/20 0.43

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
SCHEMBL26581336 0.91 GRIN2B (0.50) GRIN2BMCL1TP53MAPT
SCHEMBL26581555 0.90 MCL1 (0.46) GRIN2BMCL1KMT2APTGS2
SCHEMBL20605074 0.90 GRIN2B (0.45) GRIN2BMCL1ALDH1A1TP53MAPT
SCHEMBL23809236 0.88 GRIN2B (0.44) GRIN2BMCL1ALDH1A1TP53MAPT
SCHEMBL26581340 0.86 GRIN2B (0.56) GRIN2BALDH1A1TP53MAPTRAB9A
SCHEMBL26581592 0.84 HTR1A (0.44) MCL1ALDH1A1SMN1; SMN2
SCHEMBL23800639 0.82 GRIN2B (0.52) GRIN2BPTGS2
SCHEMBL20604943 0.80 GRIN2B (0.43) GRIN2BMCL1KMT2A
SCHEMBL20604762 0.80 MCL1 (0.43) GRIN2BMCL1RAB9ANPC1KMT2A
SCHEMBL23809214 0.79 MCL1 (0.41) GRIN2BMCL1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 GRIN2B 3904/4885MCL1 1/4885ALDH1A1 2556/4885

“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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