SCHEMBL23809057

SCHEMBL23809057

CC(C)c1cn(CC(=O)N(C)C)c2ccc(-c3ncn(Cc4ccccn4)n3)cc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.44
▸ GRIN2B Q13224 14/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ CNR2 P34972 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
SCHEMBL26581653 0.89 MCL1 (0.48) MCL1GRIN2B
SCHEMBL23809241 0.88 MCL1 (0.46) MCL1GRIN2BHDAC1HDAC6GRIN1
SCHEMBL23799579 0.88 MCL1 (0.45) MCL1GRIN2BHDAC1HDAC6KDM4C
SCHEMBL23809054 0.83 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL23809510 0.82 GRIN2B (0.39) MCL1GRIN2BGRIN1
SCHEMBL20604902 0.81 GRIN2B (0.42) MCL1GRIN2BHDAC1HDAC6GRIN1
SCHEMBL26581654 0.78 MCL1 (0.49) MCL1GRIN2B
SCHEMBL23800108 0.76 MCL1 (0.47) MCL1GRIN2BHDAC1HDAC6GRIN1
SCHEMBL26581651 0.70 GRIN2B (0.53) GRIN2B
SCHEMBL20605093 0.70 MCL1 (0.42) MCL1GRIN2BHDAC1HDAC6GRIN1

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 MCL1 1/4885GRIN2B 3904/4885HDAC1 358/4885

“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.

Send feedback