SCHEMBL20604902

SCHEMBL20604902

CN(C)C(=O)Cn1ccc2cc(-c3ncn(Cc4ccccn4)n3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 16/20 0.42
▸ MCL1 Q07820 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ GRIN1 Q05586 8/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL20605093 0.88 MCL1 (0.42) GRIN2BMCL1GRIN1HDAC1HDAC6
SCHEMBL26581653 0.84 MCL1 (0.48) GRIN2BMCL1
SCHEMBL23799579 0.83 MCL1 (0.45) GRIN2BMCL1HDAC1HDAC6
SCHEMBL23799893 0.82 GRIN2B (0.51) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL23809057 0.81 MCL1 (0.44) GRIN2BMCL1GRIN1HDAC1HDAC6
SCHEMBL20604837 0.80 GRIN2B (0.46) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL28756772 0.79 HDAC1 (0.38) BRD4HDAC1HDAC6
SCHEMBL26581654 0.74 MCL1 (0.49) GRIN2BMCL1BRD4
SCHEMBL23800108 0.73 MCL1 (0.47) GRIN2BMCL1GRIN1HDAC1HDAC6
SCHEMBL23809241 0.71 MCL1 (0.46) GRIN2BMCL1GRIN1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 — — CN disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 — — EP 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 (4 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 1/4885BRD4 71/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 GRIN2B 3904/4885MCL1 1/4885BRD4 71/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 GRIN2B 3904/4885MCL1 1/4885BRD4 71/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 GRIN2B 3904/4885MCL1 1/4885BRD4 71/4885

“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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