SCHEMBL20604877

SCHEMBL20604877

O=C1NCCn2c1cc1cccc(Br)c12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 17/20 0.58
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP11 Q9NR21 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38

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
SCHEMBL19187284 0.82 PARP1 (0.58) PARP1RPS6KA3
SCHEMBL15564154 0.79 PARP1 (0.45) PARP1ALDH1A1GAARPS6KA3
SCHEMBL15564577 0.79 PARP1 (0.48) PARP1ALDH1A1GAARPS6KA3
SCHEMBL15563354 0.78 PARP1 (0.47) PARP1ALDH1A1GAARPS6KA3
SCHEMBL15563287 0.76 PARP1 (0.51) PARP1
SCHEMBL15563327 0.76 PARP1 (0.42) PARP1ALDH1A1GAARPS6KA3
SCHEMBL19188530 0.76 PARP1 (0.51) PARP1ALDH1A1GAA
SCHEMBL1393632 0.75 RPS6KA3 (0.53) PARP1MAPKAPK2RPS6KA3
SCHEMBL30172384 0.75 RPS6KA3 (0.53) PARP1MAPKAPK2RPS6KA3
SCHEMBL19187637 0.75 PARP1 (0.41) PARP1ALDH1A1GAAMAPKAPK2RPS6KA3

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 PARP1 230/4885PARP10 328/4885PARP11 105/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 PARP1 230/4885PARP10 328/4885PARP11 105/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 PARP1 230/4885PARP10 328/4885PARP11 105/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 PARP1 230/4885PARP10 328/4885PARP11 105/4885

“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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